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Hexahydrite |
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Zalkin A, Ruben H, Templeton D H |
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Acta Crystallographica 17 (1964) 235-240 |
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The crystal structure and hydrogen bonding of magnesium sulfate hexahydrate |
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Locality: synthetic |
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_database_code_amcsd 0009280 |
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10.110 7.212 24.41 90 98.30 90 C2/c |
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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 .0045 .0086 .00087 .0002 -.0001 -.0003 |
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Mg2 0 .9425 .25 .0046 .0072 .00078 0 .0002 0 |
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S .8659 .4490 .1241 .0046 .0072 .00098 .0000 -.0001 -.0001 |
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O1 .7747 .5986 .1361 .0064 .0103 .00124 .0023 .0004 -.0001 |
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O2 .9834 .4442 .1665 .0079 .0107 .00176 .0010 -.0017 -.0005 |
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O3 .9069 .4854 .0692 .0081 .0120 .00132 .0000 .0010 -.0001 |
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O4 .7961 .2688 .1211 .0068 .0085 .00154 -.0019 -.0004 .0006 |
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O5 .5852 .7125 .0483 .0067 .0129 .00136 .0017 -.0005 -.0012 |
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O6 .5393 .3162 .0640 .0087 .0175 .00190 -.0051 -.0015 .0026 |
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O7 .3126 .5464 .0231 .0054 .0216 .00167 .0007 .0003 -.0021 |
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O8 .8887 .1486 .2820 .0067 .0094 .00126 -.0002 .0006 -.0007 |
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O9 .8884 .7405 .2811 .0061 .0113 .00160 -.0005 .0005 .0012 |
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O10 .8598 .9435 .1799 .0103 .0103 .00107 -.0008 -.0008 .0002 |
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H1 .643 .698 .076 1.9 |
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H2 .539 .806 .045 5.2 |
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H3 .495 .232 .060 1.9 |
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H4 .614 .340 .093 5.7 |
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H5 .304 .650 .055 5.6 |
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H6 .271 .544 .014 1.9 |
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H7 .840 .092 .312 4.3 |
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H8 .937 .235 .296 1.3 |
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H9 .940 .651 .291 5.9 |
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H10 .820 .733 .275 3.1 |
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H11 .849 .831 .164 2.6 |
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H12 .847 .033 .164 2.0 |
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