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    Database Oksigen

    Uploaded by

    Erina Rizki Nugrahani
    The document provides information about a chemical compound including its name, chemical formula, crystallographic parameters, subfiles and quality comments, references, and a peak list. The compound has the reference code 96-152-8621, chemical formula O12.00, and crystallizes in the tetragonal system with space group P 41 21 2. It has a calculated density of 1.01 g/cm^3 and the peak list includes intensities for 32 reflections.

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    Database Oksigen

    Uploaded by

    Erina Rizki Nugrahani
    5 views2 pages
    The document provides information about a chemical compound including its name, chemical formula, crystallographic parameters, subfiles and quality comments, references, and a peak list. The compound has the reference code 96-152-8621, chemical formula O12.00, and crystallizes in the tetragonal system with space group P 41 21 2. It has a calculated density of 1.01 g/cm^3 and the peak list includes intensities for 32 reflections.

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    The document provides information about a chemical compound including its name, chemical formula, crystallographic parameters, subfiles and quality comments, references, and a peak list. The compound has the reference code 96-152-8621, chemical formula O12.00, and crystallizes in the tetragonal system with space group P 41 21 2. It has a calculated density of 1.01 g/cm^3 and the peak list includes intensities for 32 reflections.

    Copyright:

    © All Rights Reserved
    Download as RTF, PDF, TXT or read online from Scribd
    Download as rtf, pdf, or txt
    5 views2 pages

    Database Oksigen

    Uploaded by

    Erina Rizki Nugrahani
    The document provides information about a chemical compound including its name, chemical formula, crystallographic parameters, subfiles and quality comments, references, and a peak list. The compound has the reference code 96-152-8621, chemical formula O12.00, and crystallizes in the tetragonal system with space group P 41 21 2. It has a calculated density of 1.01 g/cm^3 and the peak list includes intensities for 32 reflections.

    Copyright:

    © All Rights Reserved
    Download as RTF, PDF, TXT or read online from Scribd
    Download as rtf, pdf, or txt
    of 2

    Name and formula

    Reference code: 96-152-8621

    Compound name: 1528620


    Common name: 1528620

    Chemical formula: O12.00

    Crystallographic parameters

    Crystal system: Tetragonal


    Space group: P 41 21 2
    Space group number: 92

    a (Å): 6.8000
    b (Å): 6.8000
    c (Å): 6.8000
    Alpha (°): 90.0000
    Beta (°): 90.0000
    Gamma (°): 90.0000

    Calculated density (g/cm^3): 1.01


    Volume of cell (10^6 pm^3): 314.43

    RIR: 1.45

    Subfiles and quality

    Subfiles: User Inorganic


    Quality: User From Structure (=)

    Comments

    Creation Date: 2/3/2023 12:15:36 PM


    Modification Date: 2/3/2023 12:15:36 PM
    Structure TIDY: TRANS Origin 1/2 1/2 1/2
    Publication title: Crystal structures of the high-pressure froms of ice: Ice III
    COD database code: 1528620

    References

    Structure: Kamb, W.B., Datta, S.K., Nature (London), 187, 140 - 141, (1960)

    Peak list
    No. h k l d [A] 2Theta[deg] I [%]
    1 1 0 1 4.80833 18.437 0.9
    2 1 1 1 3.92598 22.630 5.5
    3 2 0 0 3.40000 26.189 1.1
    4 2 0 1 3.04105 29.346 100.0
    5 2 1 1 2.77609 32.219 39.5
    6 2 0 2 2.40416 37.375 4.5
    7 2 1 2 2.26667 39.734 13.9
    8 3 0 1 2.15035 41.982 24.8
    9 3 1 1 2.05028 44.136 4.9
    10 2 2 2 1.96299 46.209 23.5
    11 3 2 0 1.88598 48.213 21.6
    12 2 1 3 1.81738 50.156 1.9
    13 0 0 4 1.70000 53.888 3.7
    14 1 0 4 1.64924 55.688 2.8
    15 3 0 3 1.60278 57.450 6.9
    16 3 1 3 1.56003 59.178 4.3
    17 4 2 0 1.52053 60.875 0.5
    18 4 2 1 1.48388 62.545 2.6
    19 3 3 2 1.44976 64.190 5.3
    20 4 2 2 1.38804 67.415 0.1
    21 3 0 4 1.36000 68.999 0.9
    22 3 1 4 1.33359 70.566 2.5
    23 1 1 5 1.30866 72.118 0.6
    24 5 0 2 1.26273 75.183 6.2
    25 5 2 1 1.24150 76.699 4.2
    26 4 0 4 1.20208 79.704 0.9
    27 2 2 5 1.18373 81.195 0.5
    28 4 3 3 1.16619 82.680 0.3
    29 5 3 1 1.14941 84.160 3.4
    30 4 2 4 1.13333 85.637 1.3
    31 1 0 6 1.11791 87.110 0.3
    32 5 2 3 1.10311 88.582 2.5

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