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Calcite Vs Aragonite

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Railsback's Some Fundamentals of Mineralogy and Geochemistry

X-ray diffraction (XRD) of aragonite and calcite


X-ray diffraction provides an easy way Dickinson and McGrath (2001, The Analyst
to distinguish between the two polymorphs 126, 1118–1121) used the ratio of integrated
of CaCO3, aragonite and calcite. The two peak areas (not heights) of the calcite 104
minerals have their highest-intensity peaks and aragonite 221 peaks to develop a quanti-
at different positions, and the general look tative relationship for ratio of aragonite to
of the two patterns is different. Aragonite calcite. That approach yields good quanti-
has its greatest peak (111) at relatively small tative results, if with the somewhat unsettling
°2Θ and has several lesser peaks, whereas proviso that a 50-50 mixture of the two ploy-
calcite has a booming 104 peak a bit to the morphs has a 104/221 intensity ratio much
right of the aragonite large peak, and few greater than 1, because of the exceptional
and comparatively small other peaks. intensity of the calcite 104 peak.
That difference in patterns, if con- Another approach that yields a more
venient for quick identification of a pure intuitively acceptable result is to compare the
sample, makes analysis of mixtures a bit calcite 113 and aragonite 221 peaks. In this
more challenging. The calcite 104 peak is case, an 50-50 equal mixture of calcite and
so robust that it is typically larger than the aragonite generates peaks of about the same
aragonite 111 peak, even in a mixture that height, facilitating a quick-look approach. On
is 75% aragonite. The aragonite peak, in a pattern generated with CoKα radiation, these
contrast, begins to disappear in the noise peaks are at about 46 and 54 °2Θ, and thus
of a calcite XRD pattern if aragonite is less conveniently symmetrically positioned around 50°.
than 25% of the sample. Thus comparison On a pattern generated with CuKα radiation,
of the most intense peaks becomes a
they're at about 40 and 46 °2Θ, not quite so con-
tricky and potentially misleading enterprise.
veniently symmetrically positioned around 43°,
The usual solution to this problem is
but not hard to find.
to use the aragonite 221 peak as an indicator
of the abundance of aragonite. For example,

LBR A&CmixturesXRD01.odg 7/2012

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