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Pentahydrite |
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Baur W H, Rolin J L |
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Acta Crystallographica B28 (1972) 1448-1455 |
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Salt hydrates. IX. The comparison of the crystal structure of magnesium sulfate |
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pentahydrate with copper sulfate pentahydrate and magnesium chromate pentahydrate |
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Locality: synthetic |
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_database_code_amcsd 0009436 |
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6.314 10.505 6.030 81.12 109.82 105.08 P-1 |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Mg1 0 0 0 .0093 .0018 .0078 -.0005 -.0022 -.0002 |
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Mg2 .5 .5 0 .0068 .0018 .0061 .0006 .0022 -.0002 |
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S .0371 .2897 .6624 .0060 .0017 .0053 .0003 .0012 .0000 |
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O1 .9464 .1509 .7309 .0125 .0023 .0104 -.0010 .0014 .0015 |
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O2 .2680 .3344 .8331 .0083 .0028 .0128 -.0002 -.0019 -.0014 |
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O3 .8808 .3711 .6610 .0126 .0046 .0128 .0044 .0036 -.0008 |
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O4 .0590 .2986 .4256 .0135 .0038 .0074 -.0012 .0056 -.0003 |
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O5 .8279 .0768 .1639 .0192 .0039 .0186 -.0004 .0114 -.0032 |
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O6 .3086 .1139 .1848 .0149 .0032 .0119 -.0008 .0012 -.0006 |
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O7 .4745 .4042 .3153 .0118 .0052 .0085 .0013 .0028 .0016 |
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O8 .7567 .4077 .0318 .0118 .0063 .0104 .0047 .0022 -.0006 |
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O9 .4589 .1324 .6699 .0113 .0051 .0178 .0009 .0035 .0006 |
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H54 .908 .146 .260 2.5 |
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H59 .724 .023 .230 2.5 |
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H62 .331 .192 .117 1.9 |
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H69 .336 .148 .321 1.9 |
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H73 .562 .402 .411 1.8 |
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H74 .350 .392 .349 1.8 |
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H83 .786 .385 .919 2.1 |
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H84 .842 .374 .179 2.1 |
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H91 .585 .115 .733 2.2 |
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H92 .433 .201 .706 2.2 |
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