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    ZSM-5 Database

    Uploaded by

    Erina Rizki Nugrahani
    This document provides information about Silicon Oxide Hydrate Zeolite ZSM-5, including its name, empirical formula, crystallographic parameters, subfiles and quality, comments, references, and a peak list.

    Copyright:

    © All Rights Reserved
    Download as RTF, PDF, TXT or read online from Scribd

    ZSM-5 Database

    Uploaded by

    Erina Rizki Nugrahani
    16 views4 pages
    This document provides information about Silicon Oxide Hydrate Zeolite ZSM-5, including its name, empirical formula, crystallographic parameters, subfiles and quality, comments, references, and a peak list.

    Copyright

    © © All Rights Reserved

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    RTF, PDF, TXT or read online from Scribd

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    This document provides information about Silicon Oxide Hydrate Zeolite ZSM-5, including its name, empirical formula, crystallographic parameters, subfiles and quality, comments, references, and a peak list.

    Copyright:

    © All Rights Reserved
    Download as RTF, PDF, TXT or read online from Scribd
    Download as rtf, pdf, or txt
    16 views4 pages

    ZSM-5 Database

    Uploaded by

    Erina Rizki Nugrahani
    This document provides information about Silicon Oxide Hydrate Zeolite ZSM-5, including its name, empirical formula, crystallographic parameters, subfiles and quality, comments, references, and a peak list.

    Copyright:

    © All Rights Reserved
    Download as RTF, PDF, TXT or read online from Scribd
    Download as rtf, pdf, or txt
    of 4

    Name and formula

    Reference code: 01-084-0385

    Compound name: Silicon Oxide Hydrate


    Zeolite name: ZSM-5
    ICSD name: Silicon Oxide Hydrate

    Empirical formula: H2O25Si12


    Chemical formula: Si12O24 ( H2O )

    Crystallographic parameters

    Crystal system: Orthorhombic


    Space group: Pnma
    Space group number: 62

    a (Å): 20.0700
    b (Å): 19.9200
    c (Å): 13.4200
    Alpha (°): 90.0000
    Beta (°): 90.0000
    Gamma (°): 90.0000

    Calculated density (g/cm^3): 1.83


    Volume of cell (10^6 pm^3): 5365.24
    Z: 8.00

    RIR: 2.14

    Subfiles and quality

    Subfiles: Inorganic
    Modelled additional pattern
    Zeolite
    Quality: Calculated (C)

    Comments

    ICSD collection code: 201183


    Creation Date: 1/1/1970
    Modification Date: 1/1/1970
    ICSD Collection Code: 201183
    Calculated Pattern Original Remarks: ATOM H 1 +1 16.00 Atoms not located in unit cell
    Calculated Pattern Original Remarks: REM B O27 and O28 assumed to be water; no none-
    framework cat
    Calculated Pattern Original Remarks: REM given
    Temperature Factor: ITF
    Additional Patterns: See PDF 44-3.
    References

    Primary reference: Calculated from ICSD using POWD-12++, (1997)


    Structure: Olson, D.H., Kokotailo, G.T., Lawton, S.L., Meier, W.M., J. Phys. Chem.,
    85, 2238, (1981)

    Peak list
    No. h k l d [A] 2Theta[deg] I [%]
    1 1 0 1 11.15580 7.919 100.0
    2 2 0 0 10.03500 8.805 40.6
    3 1 1 1 9.73341 9.078 11.9
    4 2 1 0 8.96204 9.861 0.9
    5 2 0 1 8.03661 11.000 0.3
    6 2 1 1 7.42973 11.902 0.7
    7 2 2 0 7.06915 12.511 0.2
    8 0 0 2 6.71000 13.184 4.1
    9 1 0 2 6.36376 13.905 5.8
    10 2 2 1 6.25447 14.149 0.3
    11 1 1 2 6.06194 14.601 1.1
    12 3 0 1 5.98728 14.784 8.5
    13 3 1 1 5.70579 15.518 3.6
    14 2 0 2 5.57792 15.876 5.5
    15 2 1 2 5.36261 16.517 1.1
    16 3 2 1 5.13149 17.267 0.8
    17 4 0 0 5.01750 17.662 2.9
    18 0 4 0 4.98000 17.796 2.6
    19 2 2 2 4.86553 18.219 0.3
    20 3 0 2 4.73760 18.715 0.1
    21 3 1 2 4.60904 19.242 1.6
    22 1 4 1 4.54747 19.505 0.1
    23 2 4 0 4.44655 19.952 0.5
    24 1 0 3 4.36463 20.330 3.1
    25 1 1 3 4.25034 20.883 3.1
    26 2 0 3 4.08577 21.734 0.6
    27 4 3 0 4.00312 22.189 2.5
    28 1 4 2 3.92188 22.654 0.6
    29 5 0 1 3.84566 23.109 25.7
    30 0 5 1 3.81925 23.271 21.7
    31 1 5 1 3.75192 23.695 10.1
    32 3 0 3 3.71861 23.910 13.1
    33 3 1 3 3.64816 24.379 10.9
    34 5 2 1 3.58753 24.798 0.6
    35 4 4 0 3.53458 25.175 0.4
    36 3 2 3 3.48373 25.549 1.2
    37 4 3 2 3.43781 25.896 3.5
    38 5 1 2 3.39431 26.234 0.5
    39 1 5 2 3.37684 26.372 0.8
    40 6 0 0 3.34500 26.628 1.6
    41 3 5 1 3.30908 26.922 3.2
    42 1 1 4 3.26435 27.298 0.4
    43 5 2 2 3.25549 27.374 0.5
    44 3 3 3 3.24198 27.490 1.1
    45 6 1 1 3.20345 27.827 0.2
    46 2 0 4 3.18188 28.020 0.6
    47 6 2 0 3.17095 28.118 0.4
    48 4 2 3 3.16584 28.165 0.4
    49 2 1 4 3.14030 28.399 0.8
    50 4 5 0 3.12006 28.587 0.3
    51 6 2 1 3.08597 28.909 0.1
    52 3 5 2 3.04917 29.266 3.1
    53 4 5 1 3.03901 29.366 2.2
    54 5 0 3 2.98756 29.883 3.2
    55 0 6 2 2.97513 30.011 3.0
    56 3 1 4 2.96559 30.110 1.9
    57 1 6 2 2.94297 30.347 1.9
    58 6 3 1 2.91597 30.635 0.1
    59 3 6 1 2.90349 30.770 0.1
    60 6 2 2 2.86160 31.232 0.6
    61 2 6 2 2.85241 31.335 0.4
    62 5 4 2 2.83300 31.555 0.4
    63 7 0 1 2.80387 31.892 0.3
    64 0 7 1 2.78381 32.128 0.5
    65 7 1 1 2.77650 32.214 0.4
    66 4 6 0 2.76876 32.307 0.2
    67 4 1 4 2.75742 32.443 0.1
    68 6 3 2 2.72910 32.790 1.5
    69 6 4 1 2.71916 32.913 0.9
    70 7 2 1 2.69896 33.166 0.1
    71 2 4 4 2.67887 33.422 0.4
    72 1 0 5 2.66032 33.662 0.3
    73 6 1 3 2.65497 33.732 0.2
    74 1 1 5 2.63654 33.975 0.2
    75 5 5 2 2.60574 34.389 2.0
    76 1 7 2 2.59781 34.497 1.2
    77 6 2 3 2.58302 34.701 0.6
    78 4 3 4 2.57135 34.864 0.7
    79 6 5 0 2.56178 34.998 0.7
    80 5 1 4 2.55300 35.122 0.7
    81 7 2 2 2.54554 35.229 0.7
    82 2 2 5 2.50875 35.763 0.8
    83 3 0 5 2.49100 36.026 1.4
    84 3 6 3 2.47531 36.262 0.5
    85 1 3 5 2.46949 36.351 0.3
    86 8 1 1 2.44735 36.691 0.3
    87 3 7 2 2.43946 36.814 0.3
    88 8 2 0 2.43276 36.919 0.4
    89 3 2 5 2.41388 37.219 0.9
    90 3 5 4 2.39602 37.506 1.3
    91 2 8 1 2.37845 37.794 0.3
    92 6 0 4 2.36667 37.989 0.1
    93 0 6 4 2.35987 38.103 0.1
    94 4 1 5 2.34988 38.271 0.3
    95 7 2 3 2.34373 38.375 0.3
    96 0 8 2 2.33228 38.571 0.1
    97 4 7 2 2.32233 38.743 0.4
    98 3 8 1 2.29910 39.150 0.2
    99 7 5 1 2.29294 39.260 0.1
    100 5 4 4 2.28476 39.406 0.1
    101 2 8 2 2.27374 39.605 0.1
    102 7 3 3 2.26862 39.698 0.1
    103 3 7 3 2.25991 39.858 0.1
    104 0 0 6 2.23667 40.290 0.2
    105 6 3 4 2.23108 40.395 0.3
    106 6 5 3 2.22291 40.550 0.2
    107 5 1 5 2.21525 40.697 0.1
    108 8 4 1 2.20992 40.799 0.2
    109 4 8 1 2.20027 40.986 0.5
    110 5 7 2 2.19391 41.110 0.3
    111 0 2 6 2.17965 41.391 0.1
    112 1 9 1 2.16953 41.593 0.3
    113 1 8 3 2.16215 41.742 0.2
    114 1 7 4 2.15761 41.834 0.1
    115 4 4 5 2.13756 42.245 0.1
    116 2 9 1 2.13389 42.321 0.1
    117 7 2 4 2.12926 42.418 0.1
    118 8 4 2 2.12517 42.503 0.1
    119 3 1 6 2.10933 42.838 0.3
    120 9 1 2 2.10435 42.945 0.2
    121 6 0 5 2.09341 43.180 0.2
    122 5 8 1 2.08822 43.293 0.2
    123 8 3 3 2.07820 43.512 0.4

    Stick Pattern

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