1.2. General Introduction To The Subgroups of Space Groups: by Hans Wondratschek

1.2.
General introduction to the subgroups of space groups

By Hans Wondratschek
1.2.1. General remarks
The performance of simple vector and matrix calculations, as well
as elementary operations with groups, are nowadays common
practice in crystallography, especially since computers and
suitable programs have become widely available. The authors of
this volume therefore assume that the reader has at least some
practical experience with matrices and groups and their crystal-
lographic applications. The explanations and denitions of the
basic terms of linear algebra and group theory in these rst
sections of this introduction are accordingly short. Rather than
replace an elementary textbook, these rst sections aim to
acquaint the reader with the method of presentation and the
terminology that the authors have chosen for the tables and
graphs of this volume. The concepts of groups, their subgroups,
isomorphism, coset decomposition and conjugacy are considered
to be essential for the use of the tables and for their practical
application to crystal structures; for a deeper understanding the
concept of normalizers is also necessary. Frequently, however, an
intuitive feeling obtained by practical experience may replace a
full comprehension of the mathematical meaning. From Section
1.2.6 onwards, the presentation will be more detailed because the
subjects are more specialized (but mostly not more difcult) and
are seldom found in textbooks.
1.2.2. Mappings and matrices
1.2.2.1. Crystallographic symmetry operations
A crystal is a nite block of an innite periodic array of atoms
in physical space. The innite periodic array is called the crystal
pattern. The nite block is called the macroscopic crystal.
1
Periodicity implies that there are translations which map the
crystal pattern onto itself. Geometric mappings have the property
that for each point P of the space, and thus of the object, there is a
uniquely determined point
~
P, the image point. The mapping is
reversible if each image point
~
P is the image of one point P only.
Translations belong to a special category of mappings which
leave all distances in the space invariant (and thus within an
object and between objects in the space). Furthermore, a
mapping of an object onto itself (German: Deckoperation) is the
basis of the concept of geometric symmetry. This is expressed by
the following two denitions.
Denition 1.2.2.1.1. A mapping is called a motion, a rigid motion
or an isometry if it leaves all distances invariant (and thus all
angles, as well as the size and shape of an object). In this volume
the term isometry is used. &
An isometry is a special kind of afne mapping. In an afne
mapping, parallel lines are mapped onto parallel lines; lengths
and angles may be distorted but quotients of lengths on the same
line are preserved. In Section 1.2.2.3, the description of afne
mappings is discussed, because this type of description also
applies to isometries. Afne mappings are important for the
classication of crystallographic symmetries, cf. Section 1.2.5.2.
Denition 1.2.2.1.2. A mapping is called a symmetry operation of
an object if
(1) it is an isometry,
(2) it maps the object onto itself. &
Instead of maps the object onto itself, one frequently says
leaves the object invariant (as a whole). This does not mean that
each point of the object is mapped onto itself; rather, the object is
mapped in such a way that an observer cannot distinguish the
states of the object before and after the mapping.
Denition 1.2.2.1.3. A symmetry operation of a crystal pattern is
called a crystallographic symmetry operation. &
The symmetry operations of a macroscopic crystal are also
crystallographic symmetry operations, but they belong to another
kind of mapping which will be discussed in Section 1.2.5.4.
There are different types of isometries which may be crystal-
lographic symmetry operations. These types are described and
discussed in many textbooks of crystallography and in mathe-
matical, physical and chemical textbooks. They are listed here
without further treatment. Fixed points are very important for
the characterization of isometries.
Denition 1.2.2.1.4. A point P is a xed point of a mapping if it is
mapped onto itself, i.e. the image point
~
P is the same as the
original point P:
~
P P. &
The set of all xed points of an isometry may be the whole
space, a plane in the space, a straight line, a point, or the set may
be empty (no xed point).
The following kinds of isometries exist:
(1) The identity operation, which maps each point of the space
onto itself. It is a symmetry operation of every object and,
although trivial, is indispensable for the group properties
which are discussed in Section 1.2.3.
(2) A translation t which shifts every object. A translation is
characterized by its translation vector t and has no xed
point: if x is the column of coordinates of a point P, then the
coordinates ~ x of the image point
~
P are ~ x x t. If a trans-
lation is a symmetry operation of an object, the object
extends innitely in the directions of t and t. A translation
preserves the handedness of an object, e.g. it maps any right-
hand glove onto a right-hand one and any left-hand glove
onto a left-hand one.
(3) A rotation is an isometry that leaves one line xed pointwise.
This line is called the rotation axis. The degree of rotation
about this axis is described by its rotation angle . In parti-
cular, a rotation is called an N-fold rotation if the rotation
angle is k 360
,N, where k and N are relatively prime

integers. A rotation preserves the handedness of any object.
(4) A screw rotation is a rotation coupled with a translation
parallel to the rotation axis. The rotation axis is now called
7
1
A real single crystal is still different from a macroscopic crystal. There are
dislocations, point defects like vacancies, interstitial atoms or replacements of
atoms, and the atoms are never at rest but vibrate. Therefore, the macroscopic
crystal is a more-or-less strongly idealized model of the real crystal.
International Tables for Crystallography (2011). Vol. A1, Chapter 1.2, pp. 724.
Copyright 2011 International Union of Crystallography
1. SPACE GROUPS AND THEIR SUBGROUPS
the screw axis. The translation vector is called the screw
vector. A screw rotation has no xed points. The screw axis is
invariant as a whole under the screw rotation but not
pointwise.
(5) An N-fold rotoinversion is an N-fold rotation coupled with
inversion through a point on the rotation axis. This point is
called the centre of the rotoinversion. For N 6 2 it is the only
xed point. The axis of the rotation is invariant as a whole
under the rotoinversion and is called its rotoinversion axis. A
rotoinversion changes the handedness by its inversion
component: it maps any right-hand glove onto a left-hand one
and vice versa. Performed twice it results in a rotation. Special
rotoinversions are those for N 1 and N 2, which are
dealt with separately.
(6) The inversion can be considered as a onefold rotoinversion
(N 1). The xed point is called the inversion centre or the
centre of symmetry.
(7) A twofold rotoinversion (N 2) is called a reection or
a reection through a plane. It is an isometry which leaves
a plane perpendicular to the twofold rotoinversion axis
xed pointwise. This plane is called the reection plane or
mirror plane and it intersects the rotation axis in the centre
of the rotoinversion. Its orientation is described by the
direction of its normal vector, i.e. of the rotation axis. For a
twofold rotoinversion, neither the rotation nor the inversion
are symmetry operations themselves. As for any other
rotoinversion, the reection changes the handedness of an
object.
(8) A glide reection is a reection through a plane coupled with
a translation parallel to this plane. The translation vector is
called the glide vector. A glide reection changes the hand-
edness and has no xed point. The former reection plane is
now called the glide plane. Under a glide reection, the glide
plane is invariant as a whole but not pointwise.
Symmetry operations of crystal patterns may belong to any of
these isometries. The set of all symmetry operations of a crystal
pattern has the following properties: performing two (and thus
more) symmetry operations one after the other results in another
symmetry operation. Moreover, there is the identity operation in
this set, i.e. an operation that leaves every point of the space and
thus of the crystal pattern xed. Finally, for any symmetry
operation of an object there is an inverse symmetry operation
by which its effect is reversed. These properties are necessary for
the application of group theory, cf. Section 1.2.3.
1.2.2.2. Coordinate systems and coordinates
To describe mappings analytically, one introduces a coordinate
system fO. a. b. cg, consisting of three linearly independent
(i.e. not coplanar) basis vectors a. b. c (or a
1
. a
2
. a
3
) and an
origin O. For the plane (two-dimensional space) an origin and
two linearly independent (i.e. not parallel) basis vectors a. b (or
a
1
. a
2
) are chosen. Referred to this coordinate system, each point
P can be described by three (or two for the plane) coordinates
x. y. z (or x
1
. x
2
. x
3
). An object, for example a crystal, can now
be described by a continuous or discontinuous function of the
coordinates such as the electron density or the coordinates of the
centres of the atoms. A mapping can be regarded as an instruc-
tion of how to calculate the coordinates ~ x. ~ y. ~ z of the image point
~
X from the coordinates x. y. z of the original point X.
In contrast to the practice in physics and chemistry, a non-
Cartesian coordinate system is usually chosen in crystallography.
The primary aim of the choice of the crystallographic coordinate
system is to describe the crystal pattern and its set of all symmetry
operations in a simple way. This aim holds in particular for the
innitely many symmetry translations of the crystal pattern,
which form its translation group. Secondary to this aim are
equality of the lengths of, and right angles between, the basis
vectors.
The vector t belonging to the translation t is called a translation
vector or a lattice vector. The set of all translation vectors of the
crystal pattern is called its vector lattice L. Both the translation
group and the vector lattice are useful tools for describing the
periodicity of the crystals.
For the description of a vector lattice several kinds of bases are
in use. Orthonormal bases are not the most convenient, because
the coefcients of the lattice vectors may then be any real
number. The coefcients of the lattice vectors are more trans-
parent if the basis vectors themselves are lattice vectors.
Denition 1.2.2.2.1. A basis which consists of lattice vectors of a
crystal pattern is called a lattice basis or a crystallographic basis. &
Referred to a lattice basis, each lattice vector t 2 L is a linear
combination of the basis vectors with rational coefcients. One
can even select special bases such that the coefcients of all
lattice vectors are integers.
Denition 1.2.2.2.2. A crystallographic basis is called a primitive
basis if every lattice vector has integer coefcients. &
A fundamental feature of vector lattices is that for any lattice
in a dimension greater than one an innite number of primitive
bases exists. With certain rules, the choice of a primitive basis can
be made unique (reduced bases). In practice, however, the
conventional bases are not always primitive; the choice of a
conventional basis is determined by the matrix parts of the
symmetry operations, cf. Section 1.2.5.1.
1.2.2.3. The description of mappings
The instruction for the calculation of the coordinates of
~
X
from the coordinates of X is simple for an afne mapping and
thus for an isometry. The equations are
~ x W
11
x W
12
y W
13
z w
1
~ y W
21
x W
22
y W
23
z w
2
~ z W
31
x W
32
y W
33
z w
3
.
1.2.2.1
where the coefcients W
ik
and w
j
are constant. These equations
can be written using the matrix formalism:
~ x
~ y
~ z
0
@
1
A
W
11
W
12
W
13
W
21
W
22
W
23
W
31
W
32
W
33
0
@
1
A
x
y
z
0
@
1
A
w
1
w
2
w
3
0
@
1
A
. 1.2.2.2
This matrix equation is usually abbreviated by
~ x W x w. 1.2.2.3
where
~ x
~ x
~ y
~ z
0
@
1
A
. x
x
y
z
0
@
1
A
. w
w
1
w
2
w
3
0
@
1
A
and W
W
11
W
12
W
13
W
21
W
22
W
23
W
31
W
32
W
33
0
@
1
A
.
8
1.2. GENERAL INTRODUCTION TO THE SUBGROUPS OF SPACE GROUPS
Denition 1.2.2.3.1. The matrix W is called the linear part or
matrix part, the column w is the translation part or column part of
a mapping. &
In equations (1.2.2.1) and (1.2.2.3), the coordinates are mixed
with the quantities describing the mapping, designated by the
letters W
ik
and w
j
or W and w. Therefore, one prefers to write
equation (1.2.2.3) in the form
~ x W. w x or ~ x fW j wg x. 1.2.2.4
The symbols (W. w) and {W j w} which describe the mapping
referred to the chosen coordinate system are called the matrix
column pair and the Seitz symbol.
The formulae for the combination of afne mappings and for
the inverse of an afne mapping (regular matrix W) are obtained
by
~ x W
1
x w
1
.
~
~ x W
2
~ x w
2
W
3
x w
3
~
~ x W
2
W
1
x w
1
w
2
W
2
W
1
x W
2
w
1
w
2
.
From ~ x Wx w, it follows that W
1
~ x x W
1
w or
x W
1
~ x W
1
w.
Using matrixcolumn pairs, this reads
W
3
. w
3
W
2
. w
2
W
1
. w
1
W
2
W
1
. W
2
w
1
w
2
1.2.2.5
and
x W. w
1
~ x W
0
. w
0
~ x
or
W
0
. w
0
W. w
1
W
1
. W
1
w. 1.2.2.6
One nds from equations (1.2.2.5) and (1.2.2.6) that the linear
parts of the matrixcolumn pairs transform as one would expect:
(1) the linear part of the product of two matrixcolumn
pairs is the product of the linear parts, i.e. if W
3
. w
3

W
2
. w
2
W
1
. w
1
then W
3
W
2
W
1
;
(2) the linear part of the inverse of a matrixcolumn pair is the
inverse of the linear part, i.e. if X. x W. w
1
, then
X W
1
. [This relation is included in the rst one: from
W. w X. x WX. Wx w I. o follows X W
1
.
Here I is the unit matrix and o is the column consisting of
zeroes].
These relations will be used in Section 1.2.5.4.
For the column parts, equations (1.2.2.5) and (1.2.2.6) are less
convenient:
1 w
3
W
2
w
1
w
2
; 2 w
0
W
1
w.
Because of the inconvenience of these relations, it is often
preferable to use augmented matrices, by which one can
describe the combination of afne mappings and the inverse
mapping by the equations of the usual matrix multiplication.
These matrices are introduced in the next section.
1.2.2.4. Matrixcolumn pairs and (n + 1) (n + 1) matrices
It is natural to combine the matrix part and the column part
describing an afne mapping to form a 3 4 matrix, but such
matrices cannot be multiplied by the usual matrix multiplication
and cannot be inverted. However, if one supplements the 3 4
matrix by a fourth row 0 0 0 1, one obtains a 4 4 square
matrix which can be combined with the analogous matrices of
other mappings and can be inverted. These matrices are called
augmented matrices and are designated by open-face letters in
this volume:
W
W
11
W
12
W
13
w
1
W
21
W
22
W
23
w
2
W
31
W
32
W
33
w
3
0 0 0 1
0
B
B
B
B
B
@
1
C
C
C
C
C
A
~ x
~ x
~ y
~ z
1
0
B
B
B
@
1
C
C
C
A
. x
x
y
z
1
0
B
B
B
@
1
C
C
C
A
.
1.2.2.7
In order to write equation (1.2.2.3) as ~ x Wx with the
augmented matrices W, the columns ~ x and x also have to be
extended to the augmented columns x and ~ x. Equations (1.2.2.5)
and (1.2.2.6) then become
W
3
W
2
W
1
and W
1
W
1
. 1.2.2.8
The vertical and horizontal lines in the matrix have no math-
ematical meaning. They are simply a convenience for separating
the matrix part from the column part and from the row 0 0 0 1,
and could be omitted.
Augmented matrices are very useful when writing down
general formulae which then become more transparent and more
elegant. However, the matrixcolumn pair formalism is, in
general, advantageous for practical calculations.
For the augmented columns of vector coefcients, see Section
1.2.2.6.
1.2.2.5. Isometries
Isometries are special afne mappings, as in Denition
1.2.2.1.1. The matrix W of an isometry has to full conditions
which depend on the coordinate basis. These conditions are:
(1) A basis a
1
. a
2
. a
3
is characterized by the scalar products
a
j
a
k
of its basis vectors or by its lattice parameters
a. b. c. o. [ and ,. Here a. b. c are the lengths of the basis
vectors a
1
. a
2
. a
3
and o. [ and , are the angles between a
2
and a
3
, a
3
and a
1
, a
1
and a
2
, respectively. The metric matrix M
[called G in International Tables for Crystallography Volume
A (2005) (abbreviated as IT A), Chapter 9.1] is the 3 3
matrix which consists of the scalar products of the basis
vectors:
M
a
2
a b cos , a c cos [
b a cos , b
2
b c cos o
c a cos [ c b cos o c
2
0
@
1
A
.
If W is the matrix part of an isometry, referred to the basis
(a
1
. a
2
. a
3
), then W must full the condition W
T
M W M,
where W
T
is the transpose of W.
(2) For the determinant of W, detW 1 must hold;
detW 1 for the identity, translations, rotations and
screw rotations; detW 1 for inversions, reections, glide
reections and rotoinversions.
(3) For the trace, trW W
11
W
22
W
33
1 2 cos
holds, where is the rotation angle; the + sign applies if
detW 1 and the sign if detW 1.
Algorithms for the determination of the kind of isometry from
a given matrixcolumn pair and for the determination of the
matrixcolumn pair for a given isometry can be found in IT A,
Part 11 or in Hahn & Wondratschek (1994).
9
1.2.2.6. Vectors and vector coefcients
In crystallography, vectors and their coefcients as well as
points and their coordinates are used for the description of
crystal structures. Vectors represent translation shifts, distance
and Patterson vectors, reciprocal-lattice vectors etc. With respect
to a given basis a vector has three coefcients. In contrast to the
coordinates of a point, these coefcients do not change if the
origin of the coordinate system is shifted. In the usual description
by columns, the vector coefcients cannot be distinguished from
the point coordinates, but in the augmented-column description
the difference becomes visible: the vector from the point P to
the point Q has the coefcients v
1
q
1
p
1
, v
2
q
2
p
2
,
v
3
q
3
p
3
, 1 1. Thus, the column of the coefcients of a
vector is not augmented by 1 but by 0. Therefore, when the
point P is mapped onto the point
~
P by ~ x W x w according to
equation (1.2.2.3), then the vector v PQ
!
is mapped onto the
vector ~ v
~
P
~
Q
!
by transforming its coefcients by ~ v W v,
because the coefcients w
j
are multiplied by the number 0
augmenting the column v v
j
. Indeed, the distance vector
v PQ
!
is not changed when the whole space is mapped onto
itself by a translation.
Remarks
(1) The difference in transformation behaviour between the
point coordinates x and the vector coefcients v is not visible
in the equations where the symbols x and v are used, but is
obvious only if the columns are written in full, viz
x
1
x
2
x
3
1
0
B
B
B
@
1
C
C
C
A
and
v
1
v
2
v
3
0
0
B
B
B
@
1
C
C
C
A
.
(2) The transformation behaviour of the vector coefcients is
also apparent if the vector is understood to be a translation
vector and the transformation behaviour of the translation is
considered as in the last paragraph of the next section.
(3) The transformation ~ v W v is called an orthogonal mapping
if W is the matrix part of an isometry.
1.2.2.7. Origin shift and change of the basis
It is in general advantageous to refer crystallographic objects
and their symmetries to the most appropriate coordinate system.
The best coordinate system may be different for different steps of
the calculations and for different objects which have to be
considered simultaneously. Therefore, a change of the origin and/
or the basis are frequently necessary when treating crystal-
lographic problems. Here the formulae for the inuence of an
origin shift and a change of basis on the coordinates, on the
matrixcolumn pairs of mappings and on the vector coefcients
are only stated; the equations are derived in detail in IT A
Chapters 5.1 and 5.2, and in Hahn & Wondratschek (1994).
Let a coordinate system be given with a basis a
1
. a
2
. a
3
T
and
an origin O.
2
Referred to this coordinate system, the column of
coordinates of a point P is x; the matrix and column parts
describing a symmetry operation are W and w according to
equations (1.2.2.1) to (1.2.2.3), and the column of vector coef-
cients is v, see Section 1.2.2.6. A new coordinate system may be
introduced with the basis a
0
1
. a
0
2
. a
0
3
T
and the origin O
0
.
Referred to the new coordinate system, the column of coordi-
nates of the point P is x
0
, the symmetry operation is described by
W
0
and w
0
and the column of vector coefcients is v
0
.
Let p OO
0
!
be the column of coefcients for the vector from
the old origin O to the new origin O
0
and let
P
P
11
P
12
P
13
P
21
P
22
P
23
P
31
P
32
P
33
0
@
1
A
1.2.2.9
be the matrix of a basis change, i.e. the matrix that relates the new
basis a
0
1
. a
0
2
. a
0
3
T
to the old basis a
1
. a
2
. a
3
T
according to
a
0
1
. a
0
2
. a
0
3

T
a
1
. a
2
. a
3

T
P a
1
. a
2
. a
3

T
P
11
P
12
P
13
P
21
P
22
P
23
P
31
P
32
P
33
0
@
1
A
.
1.2.2.10
Then the following equations hold:
x
0
P
1
x P
1
p or x P x
0
p; 1.2.2.11
W
0
P
1
W P or W P W
0
P
1
; 1.2.2.12
w
0
P
1
w W I p or w P w
0
W I p. 1.2.2.13
For the columns of vector coefcients v and v
0
, the following
holds:
v
0
P
1
v or v P v
0
. 1.2.2.14
i.e. an origin shift does not change the vector coefcients.
These equations read in the augmented-matrix formalism
x
0
P
1
x; W
0
P
1
WP; v
0
P
1
v. 1.2.2.15
For the difference in the transformation behaviour of point
coordinates and vector coefcients, see the remarks at the end of
Section 1.2.2.6. Avector v can be regarded as a translation vector;
its translation is then described by (I, v), i.e. W I. w v. It
can be shown using equation (1.2.2.13) that the translation and
thus the translation vector are not changed under an origin shift,
(I. p), because I. v
0
I. v holds. Moreover, under a general
coordinate transformation the origin shift is not effective: in
equation (1.2.2.13) only v
0
P
1
v remains because of the
equality W I.
1.2.3. Groups
Group theory is the proper tool for studying symmetry in science.
A group is a set of elements with a law of composition, by which
to any two elements a third element is uniquely assigned. The
symmetry group of an object is the set of all isometries (rigid
motions) which map that object onto itself. If the object is a
crystal, the isometries which map it onto itself (and also leave it
invariant as a whole) are the crystallographic symmetry opera-
tions.
There is a huge amount of literature on group theory and its
applications. The book Introduction to Group Theory (Leder-
mann, 1976; Ledermann & Weir, 1996) is recommended. The
book Symmetry of Crystals. Introduction to International Tables
for Crystallography, Vol. A by Hahn & Wondratschek (1994)
10
2
In this volume, point coordinates and vector coefcients are thought of as
columns in matrix multiplication. Therefore, columns are considered to be
standard. These columns are not marked, even if they are written in a row. To
comply with the rules of matrix multiplication, rows are also introduced. These
rows of symbols (e.g. vector coefcients of reciprocal space, i.e. Miller indices, or a
set of basis vectors of direct space) are transposed relative to columns and are,
therefore, marked h. k. l
T
or a. b. c
T
, even if they are written in a row.
describes a way in which the data of IT A can be interpreted by
means of matrix algebra and elementary group theory. It may
also help the reader of this volume.
1.2.3.1. Some properties of symmetry groups
The geometric symmetry of any object is described by a group
G. The symmetry operations g
j
2 G are the group elements, and
the set fg
j
2 Gg of all symmetry operations fulls the group
postulates. [A symmetry element in crystallography is not a
group element of a symmetry group but is a combination of a
geometric object with that set of symmetry operations which
leave the geometric object invariant, e.g. an axis with its threefold
rotations or a plane with its glide reections etc., cf. Flack et al.
(2000).] Groups will be designated by upper-case calligraphic
script letters G, H etc. Group elements are represented by lower-
case italic sans serif letters g. h etc.
The result g
r
of the composition of two elements g
j
. g
k
2 G will
be called the product of g
j
and g
k
and will be written g
r
g
k
g
j
.
The rst operation is the right factor because the point coordi-
nates or vector coefcients are written as columns on which the
matrices of the symmetry operations are applied from the left
side.
The law of composition in the group is the successive appli-
cation of the symmetry operations.
The group postulates are shown to hold for symmetry groups:
(1) The closure, i.e. the property that the composition of any two
symmetry operations results in a symmetry operation again,
is always fullled for geometric symmetries: if g
j
2 G and
g
k
2 G, then g
j
g
k
g
r
2 G also holds.
(2) The associative law is always fullled for the composition
of geometric mappings. If g
j
. g
k
. g
m
2 G, then g
j
g
k
g
m

g
j
g
k
g
m
g
q
for any triplet j. k. m. Therefore, the paren-
theses are not necessary, one can write g
j
g
k
g
m
g
q
. In
general, however, the sequence of the symmetry operations
must not be changed. Thus, in general g
j
g
k
g
m
6 g
j
g
m
g
k
.
(3) The unit element or neutral element e 2 G is the identity
operation which maps each point onto itself, i.e. leaves each
point invariant.
(4) The isometry which reverses a given symmetry operation
g 2 G is also a symmetry operation of G and is called the
inverse symmetry operation g
1
of g. It has the property
g g
1
g
1
g e.
The number of elements of a group G is called its order jGj. The
order of a group may be nite, for example 24 for the symmetry
operations of a regular tetrahedron, or innite, for example for
any space group because of its innite set of translations. If the
relation g
k
g
j
g
j
g
k
is fullled for all pairs of elements of a
group G, then G is called a commutative or an Abelian group.
For groups of higher order, it is usually inappropriate and for
groups of innite order it is impossible to list all elements of a
group. The following denition nearly always reduces the set of
group elements to be listed explicitly to a small set.
Denition 1.2.3.1.1. A set S fg
p
. g
q
. . . .g 2 G such that every
element of G can be obtained by composition of the elements of S
and their inverses is called a set of generators of G. The elements
g
i
2 S are called generators of G. &
A group is cyclic if it consists of the unit element e and all
powers of one element g:
Cg f . . . g
3
. g
2
. g
1
. e. g
1
. g
2
. g
3
. . . . g.
If there is an integer number n > 0 with g
n
e and n is the
smallest number with this property, then the group Cg has the
nite order n. Let g
k
with 0 -k -n be the inverse element of g
k
where n is the order of g. Because g
k
g
n
g
k
g
nk
g
m
with n mk, the elements of a cyclic group of nite order can
all be written as positive powers of the generator g. Otherwise, if
such an integer n does not exist, the group Cg is of innite order
and the positive powers g
k
are different from the negative ones
g
m
.
In the same way, from any element g
j
2 G its cyclic group Cg
j
can be generated even if G is not cyclic itself. The order of this

group Cg
j
is called the order of the element g
j
.
1.2.3.2. Group isomorphism and homomorphism
A nite group G of small order may be conveniently visualized
by its multiplication table, group table or Cayley table. An
example is shown in Table 1.2.3.1.
The multiplication tables can be used to dene one of the most
important relations between two groups, the isomorphism of
groups. This can be done by comparing the multiplication tables
of the two groups.
Denition 1.2.3.2.1. Two groups are isomorphic if one can arrange
the rows and columns of their multiplication tables such that
these tables are equal, apart from the names or symbols of the
group elements. &
Multiplication tables are useful only for groups of small order.
To dene isomorphism for arbitrary groups, one can formulate
the relations expressed by the multiplication tables in a more
abstract way.
The same multiplication table for the groups G and G
0
means
that there is a reversible mapping g
q
!g
0
q
of the elements
g
q
2 G and g
0
q
2 G
0
such that g
j
g
k
0
g
0
j
g
0
k
holds for any pair of
indices j and k. In words:
Denition 1.2.3.2.2. Two groups G and G
0
are isomorphic if there
is a reversible mapping of G onto G
0
such that for any pair of
elements of G the image of the product is equal to the product of
the images. &
Isomorphic groups have the same order. By isomorphism the
set of all groups is classied into isomorphism types or
isomorphism classes of groups. Such a class is often called an
abstract group.
The isomorphism between the space groups and the corre-
sponding matrix groups makes an analytical treatment of crys-
tallographic symmetry possible. Moreover, the isomorphism of
11
Table 1.2.3.1. Multiplication table of a group
The group elements g 2 G are listed at the top of the table and in the same
sequence on the left-hand side; the unit element e is listed rst. The table is thus a
square array. The product g
k
g
j
of any pair of elements is listed at the intersection
of the kth row and the jth column.
It can be shown that each group element is listed exactly once in each row and
once in each column of the table. In the row of an element g 2 G, the unit element
e appears in the column of g
1
. If g
2
e, i.e. g g
1
, e appears on the main
diagonal. The multiplication table of an Abelian group is symmetric about the
main diagonal.
G e a b c . . .
e e a b c . . .
a a a
2
ab ac . . .
b b ba b
2
bc . . .
c c ca cb c
2
. . .
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
different space groups allows one to classify the innite number
of space groups into a nite number of isomorphism types of
space groups, which is one of the bases of crystallography, see
Section 1.2.5.
Isomorphism provides a very strong relation between groups:
the groups are identical in their group-theoretical properties. One
can weaken this relation by omitting the condition of reversibility
of the mapping. One then admits that more than one element of
the group G is mapped onto the same element of G
0
. This concept
leads to the denition of homomorphism.
Denition 1.2.3.2.3. A mapping of a group G onto a group G
0
is
called homomorphic, and G
0
is called a homomorphic image of
the group G, if for any pair of elements of G the image of the
product is equal to the product of the images and if any element
of G
0
is the image of at least one element of G. The relation of G
and G
0
is called a homomorphism. More formally: For the
mapping G onto G
0
, g
j
g
k
0
g
0
j
g
0
k
holds. &
The formulation mapping onto implies that each element
g
0
2 G
0
occurs among the images of the elements g 2 G at least
once.
3
The very important concept of homomorphism is discussed
further in Lemma 1.2.4.4.3. The crystallographic point groups are
homomorphic images of the space groups, see Section 1.2.5.4.
1.2.4. Subgroups
1.2.4.1. Denition
There may be sets of elements g
k
2 G that do not constitute the
full group G but nevertheless full the group postulates for
themselves.
Denition 1.2.4.1.1. A subset Hof elements of a group G is called
a subgroup Hof G if it fulls the group postulates with respect to
the law of composition of G. &
Remarks
(1) The group G is considered to be one of its own subgroups. If
subgroups H
j
are discussed where G is included among the
subgroups, we write H
j
G or G ! H
j
. If G is excluded from
the set fH
j
g of its subgroups, we write H
j
-G or G > H
j
. A
subgroup H
j
-G is called a proper subgroup of G.
(2) In a relation G ! H or G > H, G is called a supergroup of H.
The symbols . !. - and > are used for supergroups in the
same way as they are used for subgroups, cf. Section 2.1.6.
(3) A subgroup of a nite group is nite. A subgroup of an
innite group may be nite or innite.
(4) A subset K of elements g
k
2 G which does not necessarily
form a group is designated by the symbol K & G.
Denition 1.2.4.1.2. A subgroup H-G is a maximal subgroup if
no group Z exists for which H-Z -G holds. If H is a maximal
subgroup of G, then G is a minimal supergroup of H. &
This denition is very important for the tables of this volume,
as only maximal subgroups of space groups are listed. If all
maximal subgroups are known for any given space group,
then any general subgroup H-G can be obtained by a (nite)
chain of maximal subgroups between G and H, see Section
1.2.6.2. Moreover, the relations between a space group and its
maximal subgroups are particularly transparent, cf. Lemma
1.2.8.1.3.
1.2.4.2. Coset decomposition and normal subgroups
Let H-G be a subgroup of G of order jHj. Because H is a
proper subgroup of G there must be elements g
q
2 G that are not
elements of H. Let g
2
2 G be one of them. Then the set of
elements g
2
H fg
2
h
j
j h
j
2 Hg
4
is a subset of elements of G with
the property that all its elements are different and that the sets H
and g
2
H have no element in common. Thus, the set g
2
H also
contains jHj elements of G. If there is another element g
3
2 G
which belongs neither to Hnor to g
2
H, one can form another set
g
3
H fg
3
h
j
j h
j
2 Hg. All elements of g
3
H are different and
none occurs already in H or in g
2
H. This procedure can be
continued until each element g
r
2 G belongs to one of these sets.
In this way the group G can be partitioned, such that each
element g 2 G belongs to exactly one of these sets.
Denition 1.2.4.2.1. The partition just described is called a
decomposition (G : H) into left cosets of the group G relative to
the group H. The sets g
p
H. p 1. . . . . i are called left cosets,
because the elements h
j
2 H are multiplied with the new
elements from the left-hand side. The procedure is called a
decomposition into right cosets Hg
s
if the elements h
j
2 H are
multiplied with the new elements g
s
from the right-hand side. The
elements g
p
or g
s
are called the coset representatives. The number
of cosets is called the index i jG : Hj of H in G. &
Remarks
(1) The group H g
1
H with g
1
e is the rst coset for both
kinds of decomposition. It is the only coset which forms a
group by itself.
(2) All cosets have the same length, i.e. the same number of
elements, which is equal to jHj, the order of H.
(3) The index i is the same for both right and left decompositions.
In IT A and in this volume, the index is frequently designated
by the symbol i.
(4) A coset does not depend on its representative element;
starting from any of its elements will result in the same coset.
The right cosets may be different from the left ones and the
representatives of the right and left cosets may also differ.
(5) If the order jGj of G is innite, then either the order jHj of H
or the index i jG : Hj of H in G or both are innite.
(6) The coset decomposition of a space group G relative to its
translation subgroup T (G) is fundamental in crystallography,
cf. Section 1.2.5.4.
From its denition and from the properties of the coset
decomposition mentioned above, one immediately obtains the
fundamental theorem of Lagrange (for another formulation, see
Chapter 1.4):
Lemma 1.2.4.2.2. Lagranges theorem: Let G be a group of nite
order jGj and H-G a subgroup of G of order jHj. Then jHj is
a divisor of jGj and the equation jHj i jGj holds where
i jG : Hj is the index of H in G. &
A special situation exists when the left and right coset
decompositions of G relative to Hresult in the partition of G into
the same cosets:
12
3
In mathematics, the term homomorphism includes mappings of a group G into a
group G
0
, i.e. mappings in which not every g
0
2 G
0
is the image of some element of
g 2 G. The term homomorphism onto dened above is also known as an
epimorphism, e.g. in Ledermann (1976) and Ledermann & Weir (1996). In the
older literature the term multiple isomorphism can also be found.
4
The formulation g
2
H fg
2
h
j
j h
j
2 Hg means: g
2
H is the set of the products
g
2
h
j
of g
2
with all elements h
j
2 H.
g
p
H Hg
p
for all 1 p i. 1.2.4.1
Subgroups H that full equation (1.2.4.1) are called normal
subgroups according to the following denition:
Denition 1.2.4.2.3. A subgroup H-G is called a normal sub-
group or invariant subgroup of G, H< G, if equation (1.2.4.1) is
fullled. &
The relation H< G always holds for jG : Hj 2, i.e. subgroups
of index 2 are always normal subgroups. The subgroup H
contains half of the elements of G, whereas the other half of the
elements forms the other coset. This coset must then be the right
as well as the left coset.
1.2.4.3. Conjugate elements and conjugate subgroups
In a coset decomposition, the set of all elements of the group G
is partitioned into cosets which form classes in the mathematical
sense of the word, i.e. each element of G belongs to exactly one
coset.
Another equally important partition of the group G into classes
of elements arises from the following denition:
Denition 1.2.4.3.1. Two elements g
j
. g
k
2 G are called conjugate
if there is an element g
q
2 G such that g
1
q
g
j
g
q
g
k
. &
Remarks
(1) Denition 1.2.4.3.1 partitions the elements of G into classes of
conjugate elements which are called conjugacy classes of
elements.
(2) The unit element always forms a conjugacy class by itself.
(3) Each element of an Abelian group forms a conjugacy class by
itself.
(4) Elements of the same conjugacy class have the same order.
(5) Different conjugacy classes may contain different numbers of
elements, i.e. have different lengths.
Not only the individual elements of a group G but also the
subgroups of G can be classied in conjugacy classes.
Denition 1.2.4.3.2. Two subgroups H
j
. H
k
-G are called
conjugate if there is an element g
q
2 G such that g
1
q
H
j
g
q
H
k
holds. This relation is often written H
g
q
j
H
k
. &
Remarks
(1) The trivial subgroup I (consisting only of the unit element
of G) and the group G itself each form a conjugacy class by
themselves.
(2) Each subgroup of an Abelian group forms a conjugacy class
by itself.
(3) Subgroups in the same conjugacy class are isomorphic and
thus have the same order.
(4) Different conjugacy classes of subgroups may contain
different numbers of subgroups, i.e. have different lengths.
Equation (1.2.4.1) can be written
H g
1
p
Hg
p
or H H
g
p
for all p; 1 p i. 1.2.4.2
Using conjugation, Denition 1.2.4.2.3 can be formulated as
Denition 1.2.4.3.3. A subgroup H of a group G is a normal
subgroup H< G if it is identical with all of its conjugates, i.e. if its
conjugacy class consists of the one subgroup H only. &
1.2.4.4. Factor groups and homomorphism
For the following denition, the product of sets of group
elements will be used:
Denition 1.2.4.4.1. Let G be a group and K
j
fg
j
1
. . . . . g
j
n
g,
K
k
fg
k
1
. . . . . g
k
m
g be two arbitrary sets of its elements
which are not necessarily groups themselves. Then the
product K
j
K
k
of K
j
and K
k
is the set of all products K
j
K
k

fg
j
p
g
k
q
j g
j
p
2 K
j
. g
k
q
2 K
k
g.
5
&
The coset decomposition of a group G relative to a normal
subgroup H< G has a property which makes it particularly useful
for displaying the structure of a group.
Consider the coset decomposition with the cosets S
j
and S
k
of
a group G relative to its subgroup H-G. In general the product
S
j
S
k
of two cosets, cf. Denition 1.2.4.4.1, will not be a coset
again. However, if and only if H< G is a normal subgroup of G,
the product of two cosets is always another coset. This means that
for the set of all cosets of a normal subgroup H< G there exists a
law of composition for which the closure is fullled. One can
show that the other group postulates are also fullled for
the cosets and their multiplication if H< G holds: there is a
neutral element (which is H), for each coset g H Hg the coset
g
1
H Hg
1
forms the inverse element and for the coset
multiplication the associative law holds.
Denition 1.2.4.4.2. Let H< G. The cosets of the decomposition
of the group G relative to the normal subgroup H< G form a
group with respect to the composition law of coset multiplication.
This group is called the factor group G,H. Its order is jG : Hj, i.e.
the index of H in G. &
A factor group F G,H is not necessarily isomorphic to a
subgroup H
j
-G.
Factor groups are indispensable for an understanding of the
homomorphism of one group onto the other. The relations
between a group G and its homomorphic image are very strong
and are expressed by the following lemma:
Lemma 1.2.4.4.3. Let G
0
be a homomorphic image of the group G.
Then the set of all elements of G that are mapped onto the unit
element e
0
2 G
0
forms a normal subgroup X of G. The group G
0
is
isomorphic to the factor group G,X and the cosets of X in G are
mapped onto the elements of G
0
. The normal subgroup X is
called the kernel of the mapping; it forms the unit element of the
factor group G,X. A homomorphic image of G exists for any
normal subgroup of G. &
The most important homomorphism in crystallography is the
relation between a space group G and its homomorphic image,
the point group P, where the kernel is the subgroup T (G) of all
translations of G, cf. Section 1.2.5.4.
1.2.4.5. Normalizers
The concept of the normalizer N
G
H of a group H-G in a
group G is very useful for the considerations of the following
sections. The length of the conjugacy class of H in G is deter-
mined by this normalizer.
Let H-G and h
j
2 H. Then h
1
j
Hh
j
Hholds because His a
group. If H< G, then g
1
k
Hg
k
H for any g
k
2 G. If H is not a
13
5
The right-hand side of this equation is the set of all products g
r
g
j
p
g
k
q
,
where g
j
p
runs through all elements of K
j
and g
k
q
through all elements of K
k
.
Each element g
r
is taken only once in the set.
normal subgroup of G, there may nevertheless be elements
g
p
2 G. g
p
62 H for which g
1
p
Hg
p
H holds. We consider the
set of all elements g
p
2 G that have this property.
Denition 1.2.4.5.1. The set of all elements g
p
2 G that map the
subgroup H-G onto itself by conjugation, H g
1
p
Hg
p
H
g
p
,
forms a group N
G
H, called the normalizer of H in G, where
H < N
G
H G. &
Remarks
(1) The group H-G is a normal subgroup of G, H< G, if and
only if N
G
H G.
(2) Let N
G
H fg
p
g. One can decompose G into right cosets
relative to N
G
H. All elements g
p
g
r
of a right coset
N
G
H g
r
of this decomposition G : N
G
H transform H
into the same subgroup g
1
r
g
1
p
Hg
p
g
r
g
1
r
Hg
r
-G, which
is thus conjugate to H in G by g
r
.
(3) The elements of different cosets of G : N
G
H transform H
into different conjugates of H. The number of cosets of
N
G
H is equal to the index i
N
jG : N
G
Hj of N
G
H in G.
Therefore, the number N
H
of conjugates in the conjugacy
class of H is equal to the index i
N
and is thus determined by
the order of N
G
H. From N
G
H ! H, i
N
jG : N
G
Hj
jG : Hj i follows. This means that the number of conju-
gates of a subgroup H-G cannot exceed the index
i jG : Hj.
(4) If H-G is a maximal subgroup of G, then either N
G
H G
and H< G is a normal subgroup of G or N
G
H H and the
number of conjugates is equal to the index i jG : Hj.
(5) For the normalizers of the space groups, see the corre-
sponding part of Section 1.2.6.3.
1.2.5. Space groups
1.2.5.1. Space groups and their description
The set of all symmetry operations of a three-dimensional
crystal pattern, i.e. its symmetry group, is the space group of this
crystal pattern. In a plane, the symmetry group of a two-
dimensional crystal pattern is its plane group. In the following,
the term space group alone will be used and the plane
groups are included because they are the space groups of two-
dimensional space.
A crystal pattern is a periodic array. This means that there are
translations among its symmetry operations. The translations of
crystals are small (up to a few hundred a ngstro ms) but cannot be
arbitrarily short because of the nite size of the particles in
crystal structures. One thus denes for any nite integer n:
Denition 1.2.5.1.1. A group G of isometries in n-dimensional
space is called an n-dimensional space group if
(1) G contains n linearly independent translations.
(2) There is a minimum length o > 0 such that the length r of any
translation vector is at least r o. &
Condition (2) is justied because crystal structures contain
atoms of nite size, and it is necessary to avoid innitely small
translations as elements of space groups. Several fundamental
properties would not hold without this condition, such as the
existence of a lattice of translation vectors and the restriction to
only a few rotation angles.
In this volume, only the dimensions n 2 and n 3 will be
dealt with. However, the space groups (more precisely, the space-
group types, cf. Section 1.2.5.3) and other crystallographic items
are also known for dimensions n = 4, 5 and 6. For example, the
number of afne space-group types for n = 6 is 28 927 922
(Plesken & Schulz, 2000). 7052 of these afne space-group types
split into enantiomorphic pairs of space groups, such that there
are 28 934 974 crystallographic space-group types (Souvignier,
2003).
One of the characteristics of a space group is its translation
group. Any space group G is an innite group because the
number of its translations is already innite. The set of all
translations of G forms the innite translation subgroup T G < G
with the composition law of performing one translation after the
other, represented by the multiplication of matrixcolumn pairs.
The group T G is a normal subgroup of G of nite index. The
vector lattice L, cf. Section 1.2.2.2, forms a group with the
composition law of vector addition. This group is isomorphic to
the group T (G).
The matrixcolumn pairs of the symmetry operations of a
space group G are mostly referred to the conventional coordinate
system. Its basis is chosen as a lattice basis and in such a way that
the matrices for the linear parts of the symmetry operations of G
are particularly simple. The origin is chosen such that as many
coset representatives as possible can be selected with their
column coefcients to be zero, or such that the origin is situated
on a centre of inversion. This means (for details and examples see
Section 8.3.1 of IT A):
(1) The basis is always chosen such that all matrix coefcients are
0 or 1.
(2) If possible, the basis is chosen such that all matrices have
main diagonal form; then six of the nine coefcients are 0 and
three are 1.
(3) If (2) is not possible, the basis is chosen such that the matrices
are orthogonal. Again, six coefcients are 0 and three are 1.
(4) If (3) is not possible, the basis is hexagonal. At least ve of
the nine matrix coefcients are 0 and at most four are 1.
(5) The conventional basis chosen according to these rules is not
always primitive, cf. the rst example of Section 8.3.1 of IT A.
If the conventional basis is primitive, then the lattice is also
called primitive; if the conventional basis is not primitive,
then the lattice referred to this (non-primitive) basis is called
a centred lattice.
(6) The matrix parts of a translation and of an inversion are
I
1 0 0
0 1 0
0 0 1
0
@
1
A
and
"
I
"
1 0 0
0
"
1 0
0 0
"
1
0
@
1
A
.
i.e. the unit matrix and the negative unit matrix. They are
independent of the basis.
(7) The basis vectors of a crystallographic basis are lattice
vectors. This makes the description of the lattice and of the
symmetry operations of a crystal pattern independent of the
actual metrics of the lattice, for example independent of
temperature and pressure. It also means that the description
of the symmetry may be the same for space groups of the
same type, cf. Section 1.2.5.3.
(8) The origin is chosen at a point of highest site symmetry which
is left invariant by as many symmetry operations as possible.
The column parts w
k
of these symmetry operations are
w
k
o, i.e. the columns consist of zeroes only.
It is obviously impossible to list all elements of an innite
group individually. One can dene the space group by a set of
generators, because the number of necessary generators for any
space group is nite: theoretically, up to six generators might be
14
necessary but in practice up to ten generators are chosen for a
space group. In IT A and in this volume, the set of the conven-
tional generators is listed in the block Generators selected. The
unit element is taken as the rst generator; the generating
translations follow and the generation is completed with the
generators of the non-translational symmetry operations. The
rules for the choice of the conventional generators are described
in IT A, Section 8.3.5.
The description by generators is particularly important for this
volume because many of the maximal subgroups in Chapters 2.2
and 2.3 are listed by their generators. These generators are
chosen such that the generation of the general position can follow
a composition series, cf. Ledermann (1976) and Ledermann &
Weir (1996). This procedure allows the generation by a short
program or even by hand. For details see IT A, Section 8.3.5; in
Table 8.3.5.2 of IT A an example for the generation of a space
group along these lines is displayed.
There are four ways to describe a space group in IT A:
(i) A set of generators is the rst way in which the space-group
types G, cf. Section 1.2.5.3, are described in IT A. This way is
also used in the tables of this volume.
(ii) By the matrices of the coset representatives of G : T G in
the general position. These matrices are not written in full
but in a shorthand notation, cf. Section 8.1.5 or Chapter 11.1
of IT A. This kind of description is used for translationen-
gleiche maximal subgroups in Chapters 2.2 and 2.3 of this
volume, but in a slightly modied way, cf. Section 2.1.3.
(iii) In a visual way by diagrams of the symmetry elements (not
symmetry operations!) of G within a unit cell and its
surroundings.
(iv) Also in a visual way by depicting the general-position points,
again within a unit cell and its surroundings.
1.2.5.2. Classications of space groups
There are an innite number of space groups because there are
an innite number of known or conceivable crystals and crystal
patterns. Indeed, because the lattice parameters depend on
temperature and pressure, so do the lattice translations and the
space group of a crystal. There is great interest in getting an
overview of this vast number of space groups. To achieve this
goal, one rst characterizes the space groups by their group-
theoretical properties and classies them into space-group types
where the space groups of each type have certain properties in
common. To get a better overview, one then classies the space-
group types such that related types belong to the same super-
class. This classication is done in two ways (cf. Sections 1.2.5.4
and 1.2.5.5):
(1) rst into geometric crystal classes by the point group of the
space group, and then into crystal systems;
(2) into the arithmetic crystal classes of the space groups and
then into Bravais ocks and into lattice systems (not treated
here, cf. IT A, Section 8.2.5);
(3) all these classes: geometric and arithmetic crystal classes,
crystal systems, Bravais ocks and lattice systems are classi-
ed into crystal families.
In reality, the tables in Chapters 2.2 and 2.3 and the graphs in
Chapters 2.4 and 2.5 are tables and graphs for space-group types.
The sequence of the space-group types in IT A and thus in this
volume is determined by their crystal class, their crystal system
and their crystal family. Therefore, these classications are
treated in the next sections. The point groups and the translation
groups of the space groups can also be classied in a similar way.
Only the classication of the point groups is treated in this
chapter. For a more detailed treatment and for the classication
of the lattices, the reader is referred to Chapter 1.4 of this volume,
to Part 8 of IT A or to Brown et al. (1978).
1.2.5.3. Space groups and space-group types
We rst consider the classication of the space groups into
types. A more detailed treatment may be found in Section 8.2.1 of
IT A. In practice, a common way is to look for the symmetry of
the space group G and to compare this symmetry with that of the
diagrams in the tables of IT A.
With the exception of some double descriptions,
6
there is
exactly one set of diagrams which displays the symmetry of G, and
G belongs to that space-group type which is described in this set.
From those diagrams the HermannMauguin symbol, abbre-
viated as HM symbol, the Schoenies symbol and the space-
group number are taken.
A rigorous denition is:
Denition 1.2.5.3.1. Two space groups belong to the same afne
space-group type if and only if they are isomorphic.
7
&
This denition refers to a rather abstract property which is of
great mathematical but less practical value. In crystallography
another denition is more appropriate which results in exactly
the same space-group types as are obtained by isomorphism. It
starts from the description of the symmetry operations of a space
group by matrixcolumn pairs or, as will be formulated here, by
augmented matrices. For this one refers each of the space groups
to one of its lattice bases.
Denition 1.2.5.3.2. Two space groups G and G
0
belong to the
same afne space-group type if for a lattice basis and an origin of
G, a lattice basis and an origin of G
0
can also be found so that the
groups of augmented matrices fWg describing G and fW
0
g
describing G
0
are identical. &
In this denition the coordinate systems are chosen such that
the groups of augmented matrices agree. It is thus possible to
describe the symmetry of all space groups of the same type by
one (standardized) set of matrixcolumn pairs, as is done, for
example, in the tables of IT A.
In the subgroup tables of Chapters 2.2 and 2.3 it frequently
happens that a subgroup H-G of a space group G is given by its
matrixcolumn pairs referred to a nonconventional coordinate
system. In this case, a transformation of the coordinate system
can bring the matrixcolumn pairs to the standard form by which
the space-group type may be determined. In the subgroup tables
both the space-group type and the transformation of the coor-
dinate system are listed. One can also use this procedure for the
denition of the term afne space-group type:
Denition 1.2.5.3.3. Let two space groups G and G
0
be referred to
lattice bases and represented by their groups of augmented
matrices fWg and fW
0
g. The groups G and G
0
belong to the same
15
6
Monoclinic space groups are described in the settings unique axis b and unique
axis c; rhombohedral space groups are described in the settings hexagonal axes
and rhombohedral axes; and 24 space groups are described with two origins by
origin choice 1 and origin choice 2. In each case, both descriptions lead to the
same short HermannMauguin symbol and space-group number.
7
The name afne space-group type stems from Denition 1.2.5.3.3. Afne
space-group types have to be distinguished from crystallographic space-group
types which are dened by Denition 1.2.5.3.4.
afne space-group type if an augmented matrix P with linear part
P, detP 6 0, and column part p exists, for which
fW
0
g P
1
fWg P 1.2.5.1
holds. &
The afne space-group types are classes in the mathematical
sense of the word, i.e. each space group belongs to exactly one
type. The derivation of these types reveals 219 afne space-group
types and 17 plane-group types.
In crystallography one usually distinguishes 230 rather than
219 space-group types in a slightly ner subdivision. The differ-
ence can best be explained using Denition 1.2.5.3.3. The matrix
part P may have a negative determinant. In this case, a right-
handed basis is converted into a left-handed one, and right-
handed and left-handed screw axes are exchanged. It is a
convention in crystallography to always refer the space to a right-
handed basis and hence transformations with detP -0 are not
admitted.
Denition 1.2.5.3.4. If the matrix P is restricted by the condition
detP > 0, eleven afne space-group types split into two space-
group types each, one with right-handed and one with left-
handed screw axes, such that the total number of types is 230.
These 230 space-group types are called crystallographic space-
group types. The eleven splitting space-group types are called
pairs of enantiomorphic space-group types and the space groups
themselves are enantiomorphic pairs of space groups. &
The space groups of an enantiomorphic pair belong to
different crystallographic space-group types but are isomorphic.
As a consequence, in the lists of isomorphic subgroups H-G of
the tables of Chapter 2.3, there may occur subgroups H with
another conventional HM symbol and another space-group
number than that of G, cf. Example 1.2.6.2.7. In such a case, G and
Hare members of an enantiomorphic pair of space groups and H
belongs to the space-group type enantiomorphic to that of G.
There are no enantiomorphic pairs of plane groups.
The space groups are of different complexity. The simplest
ones are the symmorphic space groups (not to be confused
with isomorphic space groups) according to the following de-
nition:
Denition 1.2.5.3.5. A space group G is called symmorphic if
representatives g
k
of all cosets T G g
k
can be found such that the
set fg
k
g of all representatives forms a group. &
The group fg
k
g is nite and thus leaves a point F xed. In the
standard setting of any symmorphic space group such a point F is
chosen as the origin. Thus, the translation parts of the elements g
k
consist of zeroes only.
If a space group is symmorphic then all space groups of its type
are symmorphic. Therefore, one can speak of symmorphic space-
group types. Symmorphic space groups can be recognized easily
by their HM symbols: they contain an unmodied point-group
symbol: rotations, reections, inversions and rotoinversions but
no screw rotations or glide reections. There are 73 symmorphic
space-group types of dimension three and 13 of dimension two;
none of them show enantiomorphism.
One frequently speaks of the 230 space groups or the 17
plane groups and does not distinguish between the terms space
group and space-group type. This is very often possible and is
also done in this volume in order to make the explanations less
long-winded. However, occasionally the distinction is indis-
pensable in order to avoid serious difculties of comprehension.
For example, the sentence A space group is a proper subgroup of
itself is incomprehensible, whereas the sentence A space group
and its proper subgroup belong to the same space-group type
makes sense.
1.2.5.4. Point groups and crystal classes
If the point coordinates are mapped by an isometry and its
matrixcolumn pair, the vector coefcients are mapped by the
linear part, i.e. by the matrix alone, cf. Section 1.2.2.6. Because
the number of its elements is innite, a space group generates
from one point an innite set of symmetry-equivalent points by
its matrixcolumn pairs. Because the number of matrices of the
linear parts is nite, the group of matrices generates from one
vector a nite set of symmetry-equivalent vectors, for example
the vectors normal to certain planes of the crystal. These planes
determine the morphology of the ideal macroscopic crystal and
its cleavage; the centre of the crystal represents the zero vector.
When the symmetry of a crystal can only be determined by its
macroscopic properties, only the symmetry group of the macro-
scopic crystal can be found. All its symmetry operations leave at
least one point of the crystal xed, viz its centre of mass.
Therefore, this symmetry group was called the point group of the
crystal, although its symmetry operations are those of vector
space, not of point space. Although misunderstandings are not
rare, this name is still used in todays crystallography for histor-
ical reasons.
8
Let a conventional coordinate system be chosen and the
elements g
j
2 G be represented by the matrixcolumn pairs
W
j
. w
j
, with the representation of the translations t
k
2 T G
by the pairs I. t
k
. Then the composition of W
j
. w
j
with
all translations forms an innite set fI. t
k
W
j
. w
j

W
j
. w
j
t
k
g of symmetry operations which is a right coset of
the coset decomposition G : T G. From this equation it follows
that the elements of the same coset of the decomposition
G : T G have the same linear part. On the other hand,
elements of different cosets have different linear parts if T G
contains all translations of G. Thus, each coset can be character-
ized by its linear part. It can be shown from equations (1.2.2.5)
and (1.2.2.6) that the linear parts form a group which is
isomorphic to the factor group G,T G, i.e. to the group of the
cosets.
Denition 1.2.5.4.1. A group of linear parts, represented by a
group of matrices W
j
, is called a point group P. If the linear parts
are those of the matrixcolumn pairs describing the symmetry
operations of a space group G, the group is called the point group
P
G
of the space group G. The point groups that can belong to
space groups are called crystallographic point groups. &
According to Denition 1.2.5.4.1, the factor group G,T G is
isomorphic to the point group P
G
. This property is exploited in
the graphs of translationengleiche subgroups of space groups, cf.
Chapter 2.4 and Section 2.1.8.2.
All point groups in the following sections are crystallographic
point groups. The maximum order of a crystallographic point
group is 48 in three-dimensional space and 12 in two-dimensional
space.
16
8
The term point group is also used for a group of symmetry operations of point
space, which is better called a site-symmetry group and which is the group
describing the symmetry of the surroundings of a point in point space.
As with space groups, there are also an innite number of
crystallographic point groups which may be classied into a nite
number of point-group types. This cannot be done by iso-
morphism because geometrically different point groups may be
isomorphic. For example, point groups consisting of the identity
with the inversion fI. Ig or with a twofold rotation fI. 2g or with
a reection through a plane fI. mg are all isomorphic to the
(abstract) group of order 2. As for space groups, the classication
may be performed, however, referring the point groups to
corresponding vector bases. As translations do not occur among
the point-group operations, one may choose any basis for the
description of the symmetry operations by matrices. One takes
the basis of fW
0
g as given and transforms the basis of fWg to
the basis corresponding to that of fW
0
g. This leads to the de-
nition:
Denition 1.2.5.4.2. Two crystallographic point groups P
G
and
P
0
G
0 belong to the same point-group type or to the same crystal
class of point groups if there is a real non-singular matrix P which
maps a matrix group fWg of P
G
onto a matrix group fW
0
g of P
0
G
0
by the transformation fW
0
g P
1
fWg P. &
Point groups can be classied by Denition 1.2.5.4.2. Further
space groups may be classied into crystal classes of space
groups according to their point groups:
Denition 1.2.5.4.3. Two space groups belong to the same crystal
class of space groups if their point groups belong to the same
crystal class of point groups. &
Whether two space groups belong to the same crystal class or
not can be worked out from their standard HM symbols: one
removes the lattice parts from these symbols as well as the
constituents 1 from the symbols of trigonal space groups and
replaces all constituents for screw rotations and glide reections
by those for the corresponding pure rotations and reections. The
symbols obtained in this way are those of the corresponding point
groups. If they agree, the space groups belong to the same crystal
class. The space groups also belong to the same crystal class if the
point-group symbols belong to the pair 42m and 4m2 or to the
pair 62m and 6m2.
There are 32 classes of three-dimensional crystallographic
point groups and 32 crystal classes of space groups, and ten
classes of two-dimensional crystallographic point groups and ten
crystal classes of plane groups.
The distribution into crystal classes classies space-group types
and thus space groups and crystallographic point groups. It
does not classify the innite set of all lattices into a nite number
of lattice types, because the same lattice may belong to space
groups of different crystal classes. For example, the same lattice
may be that of a space group of type P1 (of crystal class 1) and
that of a space group of type P1 (of crystal class 1).
Nevertheless, there is also a denition of the point group of a
lattice. Let a vector lattice L of a space group G be referred to a
lattice basis. Then the linear parts W of the matrixcolumn pairs
(W, w) of G form the point group P
G
. If (W, w) maps the space
group G onto itself, then the linear part W maps the (vector)
lattice L onto itself. However, there may be additional matrices
which also describe symmetry operations of the lattice L. For
example, the point group P
G
of a space group of type P1 consists
of the identity 1 only. However, with any vector t 2 L, the
negative vector t 2 L also belongs to L. Therefore, the lattice L
is always centrosymmetric and has the inversion 1 as a symmetry
operation independent of the symmetry of the space group.
Denition 1.2.5.4.4. The set of all orthogonal mappings with
matrices W which map a lattice L onto itself is called the point
group of the lattice L or the holohedry of the lattice L. A crystal
class of point groups P
G
is called a holohedral crystal class if it
contains a holohedry. &
There are seven holohedral crystal classes in the space: 1, 2,m,
mmm, 4,mmm, 3m, 6,mmm and m3m. Their lattices are called
triclinic, monoclinic, orthorhombic, tetragonal, rhombohedral,
hexagonal and cubic, respectively. There are four holohedral
crystal classes in the plane: 2, 2mm, 4mm and 6mm. Their two-
dimensional lattices (or nets) are called oblique, rectangular,
square and hexagonal, respectively.
The lattices can be classied into lattice types or Bravais types,
mostly called Bravais lattices, or into lattice systems (called
Bravais systems in editions 1 to 4 of IT A). These classications
are not discussed here because they are not directly relevant to
the classication of the space groups. This is because the lattice
symmetry is not necessarily typical for the symmetry of its space
group but may accidentally be higher. For example, the lattice of
a monoclinic crystal may be accidentally orthorhombic (only for
certain values of temperature and pressure). In Sections 8.2.5 and
8.2.7 of IT A the typical lattice symmetry of a space group is
dened.
1.2.5.5. Crystal systems and crystal families
The example of P1 mentioned above shows that the point
group of the lattice may be systematically of higher order than
that of its space group. There are obviously point groups and thus
space groups that belong to a holohedral crystal class and those
that do not. The latter can be assigned to a holohedral crystal
class uniquely according to the following denition:
9
Denition 1.2.5.5.1. A crystal class C of a space group G is either
holohedral H or it can be assigned uniquely to H by the condi-
tion: any point group of C is a subgroup of a point group of H but
not a subgroup of a holohedral crystal class H
0
of smaller order.
The set of all crystal classes of space groups that are assigned to
the same holohedral crystal class is called a crystal system of space
groups. &
The 32 crystal classes of space groups are classied into seven
crystal systems which are called triclinic, monoclinic, ortho-
rhombic, tetragonal, trigonal, hexagonal and cubic. There are four
crystal systems of plane groups: oblique, rectangular, square and
hexagonal. Like the space groups, the crystal classes of point
groups are classied into the seven crystal systems of point
groups.
Apart from accidental lattice symmetries, the space groups of
different crystal systems have lattices of different symmetry. As
an exception, the hexagonal primitive lattice occurs in both
hexagonal and trigonal space groups as the typical lattice.
Therefore, the space groups of the trigonal and the hexagonal
crystal systems are more related than space groups from other
different crystal systems. Indeed, in different crystallographic
schools the term crystal system was used for different objects.
One sense of the term was the crystal system as dened above,
while another sense of the old term crystal system is now called
17
9
This assignment does hold for low dimensions of space up to dimension 4. A
dimension-independent denition of the concepts of crystal system and crystal
family is found in IT A, Chapter 8.2, where the classications are treated in more
detail.
a crystal family according to the following denition [for de-
nitions that are also valid in higher-dimensional spaces, see
Brown et al. (1978) or IT A, Chapter 8.2]:
Denition 1.2.5.5.2. In three-dimensional space, the classication
of the set of all space groups into crystal families is the same as
that into crystal systems with the one exception that the trigonal
and hexagonal crystal systems are united to form the hexagonal
crystal family. There is no difference between crystal systems and
crystal families in the plane. &
The partition of the space groups into crystal families is the
most universal one. The space groups and their types, their crystal
classes and their crystal systems are classied by the crystal
families. Analogously, the crystallographic point groups and their
crystal classes and crystal systems are classied by the crystal
families of point groups. Lattices, their Bravais types and lattice
systems can also be classied into crystal families of lattices; cf. IT
A, Chapter 8.2.
1.2.6. Types of subgroups of space groups
1.2.6.1. Introductory remarks
Groupsubgroup relations form an essential part of the
applications of space-group theory. Let G be a space group and
H-G a proper subgroup of G. All maximal subgroups H-G of
any space group G are listed in Part 2 of this volume. There are
different kinds of subgroups which are dened and described in
this section. The tables and graphs of this volume are arranged
according to these kinds of subgroups. Moreover, for the
different kinds of subgroups different data are listed in the sub-
group tables and graphs.
Let G
j
and H
j
be space groups of the space-group types G and
H. The groupsubgroup relation G
j
> H
j
is a relation between
the particular space groups G
j
and H
j
but it can be generalized to
the space-group types G and H. Certainly, not every space group
of the type Hwill be a subgroup of every space group of the type
G. Nevertheless, the relation G
j
> H
j
holds for any space group of
G and H in the following sense: If G
j
> H
j
holds for the pair G
j
and H
j
, then for any space group G
k
of the type G a space group
H
k
of the type H exists for which the corresponding relation
G
k
> H
k
holds. Conversely, for any space group H
m
of the type H
a space group G
m
of the type G exists for which the corresponding
relation G
m
> H
m
holds. Only this property of the group
subgroup relations made it possible to compile and arrange the
tables of this volume so that they are as concise as those of
IT A.
1.2.6.2. Denitions and examples
Maximal subgroups have been introduced by Denition
1.2.4.1.2. The importance of this denition will become apparent
in the corollary to Hermanns theorem, cf. Lemma 1.2.8.1.3. In
this volume only the maximal subgroups are listed for any plane
and any space group. A maximal subgroup of a plane group is a
plane group, a maximal subgroup of a space group is a space
group. On the other hand, a minimal supergroup of a plane group
or of a space group is not necessarily a plane group or a space
group, cf. Section 2.1.6.
If the maximal subgroups are known for each space group,
then each non-maximal subgroup of a space group G with nite
index can in principle be obtained from the data on maximal
subgroups. A non-maximal subgroup H-G of nite index [i]
is connected with the original group G through a chain H
Z
k
-Z
k1
- . . . -Z
1
-Z
0
G, where each group Z
j
-Z
j1
is
a maximal subgroup of Z
j1
, with the index i
j
jZ
j1
: Z
j
j,
j 1. . . . . k. The number k is nite and the relation i
Q
k
j1
i
j
holds, i.e. the total index [i] is the product of the indices i
j
.
According to Hermann (1929), the following types of sub-
groups of space groups have to be distinguished:
Denition 1.2.6.2.1. A subgroup H of a space group G is called a
translationengleiche subgroup or a t-subgroup of G if the set T G
of translations is retained, i.e. T H T G, but the number of
cosets of G,T G, i.e. the order P of the point group P
G
, is
reduced such that jG,T Gj > jH,T Hj.
10
&
The order of a crystallographic point group P
G
of the space
group G is always nite. Therefore, the number of the subgroups
of P
G
is also always nite and these subgroups and their relations
are displayed in well known graphs, cf. Chapter 2.4 and Section
2.1.8 of this volume. Because of the isomorphism between the
point group P
G
and the factor group G,T G, the subgroup graph
for the point group P
G
is the same as that for the t-subgroups of G,
only the labels of the groups are different. For deviations
between the point-group graphs and the actual space-group
graphs of Chapter 2.4, cf. Section 2.1.8.2.
Example 1.2.6.2.2
Consider a space group G of type P12,m1 referred to a
conventional coordinate system. The translation subgroup
T G consists of all translations with translation vectors
t ua vb wc, where u. v. w run through all integer
numbers. The coset decomposition of G : T G results in the
four cosets T (G), T G 2
0
, T G m
0
and T G 1
0
, where the
right operations are a twofold rotation 2
0
around the rotation
axis passing through the origin, a reection m
0
through a plane
containing the origin and an inversion 1
0
with the inversion
point at the origin, respectively. The three combinations
H
1
T G [ T G 2
0
, H
2
T G [ T G m
0
and H
3

T G [ T G 1
0
each form a translationengleiche maximal
subgroup of G of index 2 with the space-group symbols P121,
P1m1 and P1, respectively.
Denition 1.2.6.2.3. A subgroup H-G of a space group G is
called a klassengleiche subgroup or a k-subgroup if the set T (G)
of all translations of G is reduced to T H -T G but all linear
parts of G are retained. Then the number of cosets of the
decompositions H,T H and G,T G is the same, i.e.
jH,T Hj jG,T Gj. In other words: the order of the point
group P
H
is the same as that of P
G
. See also footnote 10. &
For a klassengleiche subgroup H-G, the cosets of the factor
group H,T H are smaller than those of G,T G. Because T (H)
is still innite, the number of elements of each coset is innite but
the index jT G : T Hj > 1 is nite. The number of k-subgroups
of G is always innite.
18
10
German: zellengleiche means with the same cell; translationengleiche means
with the same translations; klassengleiche means of the same (crystal) class. Of
the different German declension endings only the form with terminal -e is used in
this volume. The terms zellengleiche and klassengleiche were introduced by
Hermann (1929). The term zellengleiche was later replaced by translationengleiche
because of possible misinterpretations. In this volume they are sometimes
abbreviated as t-subgroups and k-subgroups.
Example 1.2.6.2.4
Consider a space group G of the type C121, referred to a
conventional coordinate system. The set T G of all transla-
tions can be split into the set T
i
of all translations with integer
coefcients u, v and w and the set T
f
of all translations for
which the coefcients u and v are fractional. The set T
i
forms a
group; the set T
f
is the other coset in the decomposition
T G : T
i
and does not form a group. Let t
C
be the centring
translation with the translation vector
1
2
a b. Then T
f
can
be written T
i
t
C
. Let 2
0
mean a twofold rotation around the
rotation axis through the origin. There are altogether four
cosets of the decomposition (G : T
i
), which can be written now
as T
i
, T
f
T
i
t
C
, T
i
2
0
and T
f
2
0
T
i
t
C
2
0
T
i
t
C
2
0
. The
union T
i
[ T
i
t
C
T
G
forms the translationengleiche
maximal subgroup C1 (conventional setting P1) of G of index
2. The union T
i
[ T
i
2
0
forms the klassengleiche maximal
subgroup P121 of G of index 2. The union T
i
[ T
i
t
C
2
0
also
forms a klassengleiche maximal subgroup of index 2. Its HM
symbol is P12
1
1, and the twofold rotations 2 of the point group
2 are realized by screw rotations 2
1
in this subgroup because
(t
C
2
0
) is a screw rotation with its screw axis running parallel to
the b axis through the point
1
4
. 0. 0. There are in fact these two
k-subgroups of C121 of index 2 which have the group T
i
in
common. In the subgroup table of C121 both are listed under
the heading Loss of centring translations because the
conventional unit cell is retained while only the centring
translations have disappeared. (Four additional klassengleiche
maximal subgroups of C121 with index 2 are found under the
heading Enlarged unit cell.)
The group T
i
of type P1 is a non-maximal subgroup of C121 of
index 4.
Denition 1.2.6.2.5. A klassengleiche or k-subgroup H-G is
called isomorphic or an isomorphic subgroup if it belongs to the
same afne space-group type (isomorphism type) as G. If a
subgroup is not isomorphic, it is sometimes called non-
isomorphic. &
Isomorphic subgroups are special k-subgroups. The impor-
tance of the distinction between k-subgroups in general and
isomorphic subgroups in particular stems from the fact that the
number of maximal non-isomorphic k-subgroups of any space
group is nite, whereas the number of maximal isomorphic
subgroups is always innite, see Section 1.2.8.
Example 1.2.6.2.6
Consider a space group G of type P1 referred to a conventional
coordinate system. The translation subgroup T G consists of
all translations with translation vectors t ua vb wc,
where u. v and w run through all integer numbers. There is an
inversion 1
0
with the inversion point at the origin and also an
innite number of other inversions, generated by the combi-
nations of 1
0
with all translations of T G.
We consider the subgroup T
g
of all translations with an even
coefcient u and arbitrary integers v and w as well as the coset
decomposition G : T
g
. Let t
a
be the translation with the
translation vector a. There are four cosets: T
g
, T
g
t
a
, T
g
1
0
and
T
g
t
a
1
0
. The union T
g
[ T
g
t
a
forms the translationengleiche
maximal subgroup T G of index 2. The union T
g
[ T
g
1
0
forms an isomorphic maximal subgroup of index 2, as does the

union T
g
[ T
g
t
a
1
0
. There are thus two maximal isomorphic
subgroups of index 2 which are obtained by doubling the a
lattice parameter. There are altogether 14 isomorphic sub-
groups of index 2 for any space group of type P1 which are
obtained by seven different cell enlargements.
If G belongs to a pair of enantiomorphic space-group types,
then the isomorphic subgroups of G may belong to different
crystallographic space-group types with different HM symbols
and different space-group numbers. In this case, an innite
number of subgroups belong to the crystallographic space-group
type of G and another innite number belong to the enantio-
morphic space-group type.
Example 1.2.6.2.7
Space group P4
1
, No. 76, has for any prime number p > 2 an
isomorphic maximal subgroup of index p with the lattice
parameters a. b. pc. This is an innite number of subgroups
because there is an innite number of primes. The subgroups
belong to the space-group type P4
1
if p 4n 1; they belong
to the type P4
3
if p 4n 3.
Denition 1.2.6.2.8. A subgroup of a space group is called general
or a general subgroup if it is neither a translationengleiche nor a
klassengleiche subgroup. It has lost translations as well as linear
parts, i.e. point-group symmetry. &
Example 1.2.6.2.9
The subgroup T
g
in Example 1.2.6.2.6 has lost all inversions of
the original space group P1 as well as all translations with
odd u. It is a general subgroup P1 of the space group P1 of
index 4.
1.2.6.3. The role of normalizers for groupsubgroup pairs of space
groups
In Section 1.2.4.5, the normalizer N
G
H of a subgroup H-G
in the group G was dened. The equation H < N
G
H G holds,
i.e. His a normal subgroup of N
G
H. The normalizer N
G
H, by
its index in G, determines the number N
j
jG : N
G
Hj of
subgroups H
j
-G that are conjugate in the group G, cf. Remarks
(2) and (3) below Denition 1.2.4.5.1.
The groupsubgroup relations between space groups become
more transparent if one looks at them from a more general point
of view. Space groups are part of the general theory of mappings.
Particular groups are the afne group A of all reversible afne
mappings, the Euclidean group E of all isometries, the translation
group T of all translations and the orthogonal group O of all
orthogonal mappings.
Connected with any particular space group G are its group of
translations T G and its point group P
G
. In addition, the
normalizers N
A
G of G in the afne group A and N
E
G in the
Euclidean group E are useful. They are listed in Section 15.2.1
of IT A. Although consisting of isometries only, N
E
G is not
necessarily a space group, see the second paragraph of Example
1.2.7.3.1.
For the groupsubgroup pairs H-G the following relations
hold:
(1) T H H N
G
H G N
E
G -E;
(1a) H N
G
H N
E
H -E;
(1b) N
E
H N
A
H -A;
(2) T H T G -T -E;
(3) T G G N
E
G N
A
G -A.
The subgroup H may be a translationengleiche or a klassen-
gleiche or a general subgroup of G. In any case, the normalizer
19
N
G
H determines the length of the conjugacy class of H-G, but
it is not feasible to list for each groupsubgroup pair H-G its
normalizer N
G
H. Indeed, it is only necessary to list for any
space group Hits normalizer N
E
H in the Euclidean group E of
all isometries, as is done in IT A, Section 15.2.1. From such a list
the normalizers for the groupsubgroup pairs can be obtained
easily, because for any chain of space groups H-G-E, the
relations H N
G
H G and H N
G
H N
E
H hold. The
normalizer N
G
H consists consequently of all those isometries of
N
E
H that are also elements of G, i.e. that belong to the inter-
section N
E
H \ G, cf. the examples of Section 1.2.7.
11
The isomorphism type of the Euclidean normalizer N
E
H
may depend on the lattice parameters of the space group
(specialized Euclidean normalizer). For example, if the lattice
of the space group P1 of a triclinic crystal is accidentally mono-
clinic at a certain temperature and pressure or for a certain
composition in a continuous solid-solution series, then the
Euclidean normalizer of this space group belongs to the space-
group types P2,m or C2,m, otherwise it belongs to P1. Such a
specialized Euclidean normalizer (here P2,m or C2,m) may
be distinguished from the typical Euclidean normalizer (here
P1), for which the lattice of H is not more symmetric than is
required by the symmetry of H. The specialized Euclidean
normalizers were rst listed in the 5th edition of IT A (2005),
Section 15.2.1.
1.2.7. Application to domain structures
1.2.7.1. Introductory remarks
In this section, the basic group-theoretical aspects of this
chapter are exemplied using the topic of domain structures
(transformation twins). Domain structures result from a displa-
cive or orderdisorder phase transition. A homogeneous single
crystal phase A (parent or prototypic phase) is transformed to a
crystalline phase B (daughter phase, distorted phase). In most
cases phase B is inhomogeneous, consisting of homogeneous
regions which are called domains.
Denition 1.2.7.1.1. A connected homogeneous part of a domain
structure or of a twinned crystal of phase B is called a domain.
Each domain is a single crystal. The part of space that is occupied
by a domain is the region of that domain. &
The space groups H
j
of phase B are conjugate subgroups of the
space group G of phase A, H
j
-G. The number of domains is not
limited; they differ in their locations in space, in their orienta-
tions, in their sizes, in their shapes and in their space groups
H
j
-G which, however, all belong to the same space-group type
H. The boundaries between the domains, called the domain walls,
are assumed to be (innitely) thin.
A deeper discussion of domain structures or transformation
twins and their properties needs a much more detailed treatment,
as is given in Volume D of International Tables for Crystal-
lography (2003) (abbreviated as IT D) Part 3, by Janovec, Hahn
& Klapper (Chapter 3.2), by Hahn & Klapper (Chapter 3.3) and
by Janovec & Prvratska (Chapter 3.4) with more than 400
references. Domains are also considered in Section 1.6.6 of this
volume.
In this section, non-ferroelastic phase transitions are treated
without any special assumption as well as ferroelastic phase
transitions under the simplifying parent clamping approximation,
abbreviated PCA, introduced by Janovec et al. (1989), see also IT
D, Section 3.4.2.5. A transition is non-ferroelastic if the strain
tensors (metric tensors) of the low-symmetry phase B have the
same independent components as the strain tensor of the phase
A.
12
There are thus no spontaneous strain components which
distort the lattices of the domains. In a ferroelastic phase transi-
tion the strain tensors of phase B have more independent
components than the strain tensor of phase A. The additional
strain components cause lattice strain. By the PCA the lattice
parameters of phase B at the transition are adapted to those of
phase A, i.e. to the lattice symmetry of phase A. Therefore, under
the PCA the ferroelastic phases display the same behaviour as
the non-ferroelastic phases.
If in this section ferroelastic phase transitions are considered,
the PCA is assumed to be applied.
Under a non-ferroelastic phase transition or under the
assumption of the PCA, the translations of the constituents of the
phase B are translations of phase A and the space groups H
j
of B
are subgroups of the space group G of A, H
j
-G.
Under this supposition the domain structure formed may
exhibit different chiralities and/or polarities of its domains with
different spatial orientations of their symmetry elements.
Nevertheless, each domain has the same specic energy and the
lattice of each domain is part of the lattice of the parent structure
A with space group G.
The description of domain structures by their crystal struc-
tures is called the microscopic description, IT D, Section 3.4.2.1.
In the continuum description, the crystals are treated as aniso-
tropic continua, IT D, Section 3.4.2.1. The role of the space
groups is then taken over by the point groups of the domains.
The continuum description is used when one is essentially
interested in the macroscopic physical properties of the domain
structure.
Different kinds of nomenclature are used in the discussion of
domain structures. The basic concepts of domain and domain
state are established in IT D, Section 3.4.2.1; the terms symmetry
state and directional state are newly introduced here in the
context of domain structures. All these concepts classify the
domains and will be dened in the next section and applied in
different examples of phase transitions in Section 1.2.7.3.
1.2.7.2. Domain states, symmetry states and directional states
In order to describe what happens in a phase transition of the
kind considered, a few notions are useful.
If the domains of phase B have been formed from a single
crystal of phase A, then they belong to a nite (small) number of
domain states B
j
with space groups H
j
. The domain states have
well dened relations to the original crystal of phase A and its
space group G. In order to describe these relations, the notion of
crystal pattern is used. Any perfect (ideal) crystal is a nite block
of the corresponding innite arrangement, the symmetry of
which is a space group and thus contains translations. Here, this
20
11
For maximal subgroups, a calculation of the conjugacy classes is not necessary
because these are indicated in the subgroup tables of Part 2 of this volume by
braces to the left of the data sets for the low-index subgroups and by text for the
series of isomorphic subgroups. For non-maximal subgroups, the conjugacy
relations are not indicated but can be calculated in the way described here. They
are also available online on the Bilbao Crystallographic Server, http://www.
cryst.ehu.es/, under the program Subgroupgraph.
12
A phase transition is non-ferroelastic if the space groups G of the high-
symmetry phase A and H
j
of the low-symmetry phase B belong to the same crystal
family, of which there are six: triclinic, monoclinic, orthorhombic, tetragonal,
trigonalhexagonal and cubic. In ferroelastic phase transitions the space groups G
of A and H
j
of B belong to different crystal families. Only then can spontaneous
strain components occur. They are avoided by the assumption of the PCA.
(innite) periodic object is called a crystal pattern, cf. Section
1.2.2.1. Each domain belongs to a crystal pattern.
Denition 1.2.7.2.1. The set of all domains which belong to the
same crystal pattern forms a domain state B
j
. The domains of one
domain state occupy different regions of space and are part of the
same crystal pattern: to each domain state B
j
belongs a crystal
pattern. &
From the viewpoint of symmetry, different domains of the
same domain state cannot be distinguished. The following con-
siderations concern domain states and thus indirectly their
constituents, the domains.
The number of domain states that may be observed in the
distorted phase B is limited and determined by the space groups
G and H
j
. The number of domains that belong to the same
domain state is not limited. The diversity of the domains and their
shapes is due to mechanical stresses, defects, electrical charges
and nucleation phenomena, which strongly inuence the kinetics
of the phase transition; see, for example, Fig. 3.4.1.1 in IT D.
A trivial domain structure is formed when phase B consists of
one domain only, i.e. when it forms a single-domain structure. This
is possible, for example, in nanocrystals (Chen et al., 1997) and in
particular under an external electric eld or under external stress,
and is stable under zero eld and zero stress (detwinning). For a
phase transition of the type considered, the different domain
states have the same a priori probability of appearing in the
distorted phase. In reality not all of them may be observed and/or
their relative frequencies and sizes may be rather different.
In order to calculate the number of possible domain states, the
space group G will be decomposed into cosets relative to its
subgroup H
1
, which is the space group of the domain state B
1
,
G H
1
[ . . . [ g
j
H
1
[ . . . [ g
i
H
1
.
The elements g
1
e. . . . . g
j
. . . . g
i
of G are the coset
representatives. The elements h
r
of H
1
map the domain state B
1
onto itself, h
r
B
1
B
1
, h
r
2 H
1
. The elements of the other cosets
map B
1
onto the other domain states, for example, g
j
B
1
B
j
.
13
It follows:
Lemma 1.2.7.2.2. The number N of possible domain states of
phase B is equal to the index i of H
1
in G, N jG : H
1
j i . &
Having determined the number of domain states, we turn to
their space groups, i.e. to the space groups of their crystal
patterns.
From B
1
h
r
B
1
for any h
r
2 H
1
, written as H
1
B
1
B
1
, and
B
j
g
j
B
1
or B
1
g
1
j
B
j
, we conclude that g
1
j
B
j
H
1
B
1

H
1
g
1
j
B
j
or B
j
g
j
H
1
g
1
j
B
j
.
This means: the space group g
j
H
1
g
1
j
leaves the domain state
B
j
invariant and is a subgroup of G which is conjugate to H
1
for
any value of j.
For the classication of the domain states according to their
space groups we now introduce the term symmetry state.
Denition 1.2.7.2.3. A symmetry state is a set of all domain states
(crystal patterns) the space groups of which are identical. &
Domains of the same domain state always belong to the same
symmetry state. Domains of different domain states may or may
not belong to the same symmetry state. The number N
S
of
symmetry states is determined by the normalizer N
G
H
1
of H
1
in G.
Let N
G
H
1
be the normalizer of the space group H
1
in the
space group G. Then G ! N
G
H
1
> H
1
with the indices jG : H
1
j
i and jG : N
G
H
1
j i
S
with i
S
i. By Lemma 1.2.7.2.2 the
number N jG : H
1
j of domain states is determined. For the
number N
S
of symmetry states the following lemma holds:
Lemma 1.2.7.2.4. The number N
S
of symmetry states for the
transition A!B with space groups G and H
j
is
jG : N
G
H
1
j i
S
N
S
N. To each symmetry state there
belong d
s
N : N
S
domain states, i.e. d
s
N
S
N, cf. IT D,
Section 3.4.2.4.1. &
In a groupsubgroup relation such as that between G and H
j
,
H
j
has in general lost translations as well as non-translational
symmetry operations. Thus, for the translation subgroups (the
lattices) T
G
! T
H
j
holds, and for the point groups P
G
! P
H
j
holds. Then a uniquely determined space group M
j
exists, called
Hermanns group, such that M
j
has the translations of G and the
point group of H
j
, IT D, Example 3.2.3.32. The group M
j
can thus
be characterized as that translationengleiche subgroup of G which
is simultaneously a klassengleiche supergroup of H
j
. For general
subgroups G>M
j
>H
j
, for translationengleiche subgroups
H
j
M
j
-G and for klassengleiche subgroups H
j
-M
j
G
holds.
For the corresponding indices one nds by coset decomposi-
tion the following lemma, see IT D, equation (3.2.3.91).
Lemma 1.2.7.2.5. The index i of H
j
in G can be factorized into
the point-group part i
P
and the lattice part i
L
: jG : H
j
j i
jG : M
j
j jM
j
: H
j
j i
P
i
L
. &
In the continuum description the lattices are ignored and only
the relation between the point groups is considered. Because M
j
is a translationengleiche subgroup of G, the index of M
j
in G is the
same as the index i
P
of the point group of H
j
in the point group
of G.
In many cases one is only interested in the orientation of the
domain states of a domain structure in the space. These orien-
tations are determined by the crystal patterns and may be taken
also from the values of the components of the property tensors of
the domain states. A classication of the domain states according
to their orientations into classes which shall be called directional
states may be achieved in the following way.
Denition 1.2.7.2.6. A directional state is a set of all domain states
that are parallel to each other. &
Parallel domain states (crystal patterns) have space groups
with the same point group and the same lattice; they are distin-
guished only by the locations of the conventional origins. If B
1
and B
j
g
j
B
1
are parallel, then the coset representative g
j
is a
translation and H
j
and H
1
are klassengleiche subgroups of M
1
.
Both subgroups have also the same translations because a
translation g
j
commutes with all translations and thus leaves
T H
1
invariant, see Examples 1.2.7.3.2 and 1.2.7.3.3.
To determine the number of directional states, we consider the
coset decomposition of G relative to Hermanns group M
1
. Each
coset of the decomposition G : M
1
maps the domain state B
1
21
13
The multiplication h
r
B
1
etc. is the performance of a symmetry operation h
r
on
the crystal pattern of the domain state B
1
. Usually, the matrix of h
r
is applied to
the coordinates of the atoms of the crystal pattern of B
1
. A symmetry operation of
B
1
maps the crystal pattern onto itself; another motion maps it onto another
crystal pattern.
onto a domain state B
j
with another directional state which
results in the following lemma:
Lemma 1.2.7.2.7. The number of directional states in the transi-
tion A!B with space groups G and H
1
is jG : M
1
j, i.e. the index
i
P
of M
1
in G. &
The number of directional states does not depend on the type
of description, whether microscopic or continuum, and is thus the
same for both. Therefore, the microscopic description of the
directional state may form a bridge between both kinds of
description.
1.2.7.3. Examples
The terms just dened shall be explained in a few examples. In
Example 1.2.7.3.1 a translationengleiche transition is considered;
i.e. H is a translationengleiche subgroup of G. Because M
j
H
j
,
the relation between G and H
j
is reected by the relation between
the space groups G and M
j
and the results of the microscopic and
continuum description correspond to each other.
Example 1.2.7.3.1
Perovskite BaTiO
3
exhibits a ferroelastic and ferroelectric
phase transition from phase A with the cubic space group
G Pm3m, No. 221, to phase B with tetragonal space groups
of type H P4mm, No. 99. Several aspects of this transition
are discussed in IT D. Let B
1
be one of the domain states of
phase B. Because the index jG : H
1
j 6, there are six domain
states, forming three pairs of domain states which point with
their tetragonal c axes along the cubic x, y and z axes of G.
Each pair consists of two antiparallel domain states of opposite
polarization (ferroelectric domains), related by, for example,
the symmetry plane perpendicular to the symmetry axes 4.
The six domain states also form six directional states because
H
j
M
j
(antiparallel domain states belong to different
directional states).
To nd the space groups of the domain states, the normalizers
have to be determined. For the perovskite transition, the
normalizer N
G
H
1
can be obtained from the Euclidean
normalizer N
E
of P4mm in Table 15.2.1.4 of IT A, which is
listed as P
1
4,mmm. This Euclidean normalizer has continuous
translations along the z direction (indicated by the P
1
lattice
part of the HM symbol) and is thus not a space group.
However, all additional translations of P
1
4,mmm are not
elements of the space group G, and N
G
H
1
= N
E
H
1
\ G =
P
1
4,mmm\ Pm3m = P4,mmm is a subgroup of Pm3m with
index 3 and with the lattice of Pm3m due to the PCA. There
are thus three symmetry states, i.e. three subgroups of the type
P4mm with their fourfold axes directed along the z, x and y
directions of the cubic space group G. Two domain states (with
opposite polar axes) belong to each of the three subgroups H
j
of type P4mm.
In Example 1.2.7.3.1, a phase transition was discussed which
involves only translationengleiche groupsubgroup relations and,
hence, only directional relations between the domain states
occur. Each domain state forms its own directional state. The
following two examples treat klassengleiche transitions, i.e. His a
klassengleiche subgroup of G. Then M
j
G and there is only one
directional state: a translational domain structure, also called
translation twin, is formed.
The domain states of a translational domain structure differ in
the origins of their space groups because of the loss of transla-
tions of the parent phase in the phase transition.
Example 1.2.7.3.2
Let G Fm3m, No. 225, with lattice parameter a and
H
1
Pm3m, No. 221, with the same lattice parameter a. The
relation H
1
-G is klassengleich of index 4 and is found
between the disordered and ordered modications of the alloy
AuCu
3
. In the disordered state, one Au and three Cu atoms
occupy the positions of a cubic F lattice at random; in the
ordered compound the Au atoms occupy the positions of a
cubic P lattice whereas the Cu atoms occupy the centres of all
faces of this cube. According to IT A, Table 15.2.1.4, the
Euclidean normalizer of H
1
is N
E
H
1
Im3m with lattice
parameter a. The additional I-centring translations of N
E
H
1
are not translations of G and thus N

G
H
1
H
1
. There are
four domain states, each one with its own distinct space group
H
j
. j 1. . . . . 4, and symmetry state. The shifts of the
conventional origins of B
j
relative to the origin of A are 0. 0. 0;
1
2
.
1
2
. 0;
1
2
. 0.
1
2
; and 0.
1
2
.
1
2
. These shifts do not show up in the
macroscopic properties of the domains but in the mismatch at
the boundaries (antiphase boundaries) where different
domains (antiphase domains) meet. This may be observed, for
example, by high-resolution transmission electron microscopy
(HRTEM), IT D, Section 3.3.10.6.
In the next example there are two domain states and both
belong to the same space group, i.e. to the same symmetry state.
Example 1.2.7.3.3
There is an orderdisorder transition of the alloy [-brass,
CuZn. In the disordered state the Cu and Zn atoms occupy at
random the positions of a cubic I lattice with space group
G Im3m, No. 229. In the ordered state, both kinds of atoms
form a cubic primitive lattice P each, and one kind of atom
occupies the centres of the cubes of the other, as in the CsCl
crystal structure. Its space group is H Pm3m, No. 221, which
is a subgroup of index [2] of G with the same cubic lattice
parameter a. There are two domain states with their crystal
structures shifted relative to each other by
1
2
a b c. The
space group H is a normal subgroup of G and both domain
states belong to the same symmetry state.
Up to now, only examples with translationengleiche or klas-
sengleiche transitions have been considered. Now we turn to the
domain structure of a general transition, where H is a general
subgroup of G. General subgroups are never maximal subgroups
and are thus not listed in this volume, but have to be derived from
the maximal subgroups of each single step of the groupsubgroup
chain between G and H. In the following Example 1.2.7.3.4, the
chain has two steps.
Example 1.2.7.3.4
[-Gadolinium molybdate, Gd
2
(MoO
4
)
3
, is ferroelectric and
ferroelastic. It was treated as an example from different points
of view in IT D by Tole dano (Section 3.1.2.5.2) and by Janovec
& Prvratska (Example 3.4.2.6). The high-temperature phase A
has space group G P42
1
m, No. 113, and basis vectors a, b and
c. A phase transition to a low-temperature phase B occurs with
space-group type H Pba2, No. 32, basis vectors a
0
a b,
b
0
a b and c
0
c. In addition to the reduction of the point-
group symmetry the primitive unit cell is doubled. The PCA
will be applied because the transition from the tetragonal to
the orthorhombic crystal family would without the PCA allow
a
0
6 b
0
for the lattice parameters. The index of H in G is
i jP42
1
m : Pba2j 4 such that there are four domain
states. These relations are displayed in Fig. 1.2.7.1.
22
To calculate the number of space groups Pba2, i.e. the number
of symmetry states, one determines the normalizer of
Pba2 in P42
1
m. From IT A, Table 15.2.1.3, one nds N
E
Pba2
P
1
4,mmm for the Euclidean normalizer of Pba2 under the
PCA, which includes the condition a
0
b
0
. P
1
4,mmm is a
supergroup of P42
1
m. Thus, N
G
Pba2 N
E
Pba2 \ G G
and Pba2 is a normal subgroup. Therefore, under the PCA all
four domain states belong to one space group Pba2, i.e. there is
one symmetry state. Indeed, the tables of Volume A1 list only
one subgroup of type Cmm2 under P42
1
m and only one
subgroup Pba2 under Cmm2 with i 2 in both cases.
Hermanns group M, G>M>H is of space-group type
Cmm2 with the point group mm2 of Hand with the lattice of G.
Because jG : Mj 2, there are two directional states which
belong to the same space group. The directional state of B
2
is
obtained from that of B
1
by, for example, the (lost) 4 operation
of P42
1
m: the basis vector a of B
2
is parallel to b of B
1
, b of B
2
is parallel to a of B
1
and c of B
2
is antiparallel to c of B
1
. The
other factor of 2 is caused by the loss of the centring transla-
tions of Cmm2, i
T
jM : Hj 2. Therefore, the domain state
B
3
is parallel to B
1
but its origin is shifted with respect to that
of B
1
by a lost translation, for example, by t 1. 0. 0 of G, which
is t
1
2
.
1
2
. 0 in the basis a
0
, b
0
of Pba2. The same holds for the
domain state B
4
relative to B
2
.
1.2.8. Lemmata on subgroups of space groups
There are several lemmata on subgroups H-G of space groups G
which may help in getting an insight into the laws governing
groupsubgroup relations of plane and space groups. They were
also used for the derivation and the checking of the tables of Part
2. These lemmata are proved or at least stated and explained in
Chapter 1.4. They are repeated here as statements, separated
from their mathematical background, and are formulated for the
three-dimensional space groups. They are valid by analogy for
the (two-dimensional) plane groups.
1.2.8.1. General lemmata
Lemma 1.2.8.1.1. A subgroup H of a space group G is a space
group again, if and only if the index i jG : Hj is nite. &
In this volume, only subgroups of nite index i are listed.
However, the index i is not restricted, i.e. there is no number I
with the property i -I for any i. Subgroups H-G with innite
index are considered in International Tables for Crystallography,
Volume E (2002).
Lemma 1.2.8.1.2. Hermanns theorem. For any groupsubgroup
chain G > H between space groups there exists a uniquely
dened space group M with G ! M ! H, where M is a trans-
lationengleiche subgroup of G and His a klassengleiche subgroup
of M. &
The decisive point is that any groupsubgroup chain between
space groups can be split into a translationengleiche subgroup
chain between the space groups G and M and a klassengleiche
subgroup chain between the space groups M and H.
It may happen that either G M or H M holds. In parti-
cular, one of these equations must hold if H-G is a maximal
subgroup of G.
Lemma 1.2.8.1.3. (Corollary to Hermanns theorem.) A maximal
subgroup of a space group is either a translationengleiche sub-
group or a klassengleiche subgroup, never a general subgroup. &
The following lemma holds for space groups but not for arbi-
trary groups of innite order.
Lemma 1.2.8.1.4. For any space group, the number of subgroups
with a given nite index i is nite. &
This number of subgroups can be further specied, see
Chapter 1.4. Although for each index i the number of subgroups
is nite, the number of all subgroups with nite index is innite
because there is no upper limit for the number i.
1.2.8.2. Lemmata on maximal subgroups
Even the set of all maximal subgroups of nite index is not
nite, as can be seen from the following lemma.
Lemma 1.2.8.2.1. The index i of a maximal subgroup of a space
group is always of the form p
n
, where p is a prime number and n =
1 or 2 for plane groups and n = 1, 2 or 3 for space groups. &
This lemma means that a subgroup of, say, index 6 cannot be
maximal. Moreover, because of the innite number of primes, the
set of all maximal subgroups of a given space group cannot be
nite.
An index of p
2
. p > 2. occurs for isomorphic subgroups of
tetragonal space groups when the basis vectors are enlarged to
pa, pb; for trigonal and hexagonal space groups, the enlargement
pa, pb is allowed for p = 2 and for all or part of the primes p > 3.
An index of p
3
occurs for and only for isomorphic subgroups of
cubic space groups with cell enlargements of pa, pb, pc (p > 2).
There are even stronger restrictions for maximal non-
isomorphic subgroups.
Lemma 1.2.8.2.2. The index of a maximal non-isomorphic
subgroup of a plane group is 2 or 3; for a space group the index is
2, 3 or 4. &
This lemma can be specied further:
Lemma 1.2.8.2.3. The index of a maximal non-isomorphic
subgroup His always 2 for oblique, rectangular and square plane
groups and for triclinic, monoclinic, orthorhombic and tetragonal
space groups G. The index is 2 or 3 for hexagonal plane groups
and for trigonal and hexagonal space groups G. The index is 2, 3
or 4 for cubic space groups G. &
23
Fig. 1.2.7.1. Groupsubgroup relations between the high (HT) and low
temperature (LT) forms of gadolinium molybdate (Ba rnighausen tree as
explained in Section 1.6.3).
There are also lemmata for the number of subgroups of a
certain index. The most important are:
Lemma 1.2.8.2.4. The number of subgroups of index 2 is 2
N
1
with 0 N 6 for space groups and 0 N 4 for plane groups.
The number of translationengleiche subgroups of index 2 is
2
M
1 with 0 M 3 for space groups and 0 M 2 for
plane groups. &
Examples are:
N 0 : 2
0
1 0 subgroups of index 2 for p3, No. 13, and
F23, No. 196;
N 1 : 2
1
1 1 subgroup of index 2 for p3m1, No. 14, and
P3, No. 143; . . .;
N 4 : 2
4
1 15 subgroups of index 2 for p2mm, No. 6,
and P1, No. 2;
N 6 : 2
6
1 63 subgroups of index 2 for Pmmm, No. 47.
Lemma 1.2.8.2.5. The number of isomorphic subgroups of each
space group is innite and this applies even to the number of
maximal isomorphic subgroups. &
Nevertheless, their listing is possible in the form of innite
series. The series are specied by parameters.
Lemma 1.2.8.2.6. For each space group, each maximal isomorphic
subgroup H can be listed as a member of one of at most four
series of maximal isomorphic subgroups. Each member is speci-
ed by a set of parameters. &
The series of maximal isomorphic subgroups are discussed in
Section 2.1.5.
References
Brown, H., Bu low, R., Neubu ser, J., Wondratschek, H. & Zassenhaus, H.
(1978). Crystallographic Groups of Four-dimensional Space. New
York: John Wiley & Sons.
Chen, Ch.-Ch., Herhold, A. B., Johnson, C. S. & Alivisatos, A. P. (1997).
Size dependence of structural metastability in semiconductor nanocrys-
tals. Science, 276, 398401.
Flack, H. D., Wondratschek, H., Hahn, Th. & Abrahams, S. C. (2000).
Symmetry elements in space groups and point groups. Addenda to two
IUCr reports on the nomenclature of symmetry. Acta Cryst. A56, 9698.
Hahn, Th. & Wondratschek, H. (1994). Symmetry of Crystals. Introduc-
tion to International Tables for Crystallography, Vol. A. Soa: Heron
Press.
Hermann, C. (1929). Zur systematischen Strukturtheorie. IV. Unter-
gruppen. Z. Kristallogr. 69, 533555.
International Tables for Crystallography (2002). Vol. E, Subperiodic
Groups, edited by V. Kopsky & D. B. Litvin. Dordrecht: Kluwer
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International Tables for Crystallography (2003). Vol. D, Physical
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Academic Publishers.
International Tables for Crystallography (2005). Vol. A, Space-Group
Symmetry, edited by Th. Hahn, 5th ed. Heidelberg: Springer.
Janovec, V., Schranz, W., Warhanek, H. & Zikmund, Z. (1989). Symmetry
analysis of domain structure in KSCN crystals. Ferroelectrics, 98, 171
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Ledermann, W. (1976). Introduction to Group Theory. London:
Longman. (German: Einfu hrung in die Gruppentheorie, Braun-
schweig: Vieweg, 1977.)
Ledermann, W. & Weir, A. J. (1996). Introduction to Group Theory, 2nd
ed. Harlow: Addison-Wesley Longman.
Plesken, W. & Schulz, T. (2000). Counting crystallographic groups in low
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Souvignier, B. (2003). Enantiomorphism of crystallographic groups in
higher dimensions with results in dimensions up to 6. Acta Cryst. A59,
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24 references

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1.2.

General introduction to the subgroups of space groups

,N, where k and N are relatively prime

can be generated even if G is not cyclic itself. The order of this

forms an isomorphic maximal subgroup of index 2, as does the

are not translations of G and thus N

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