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Gypsum |
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Boeyens J C A, Ichharam V V H |
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Zeitschrift fur Kristallographie 217 (2002) 9-10 |
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Redetermination of the crystal structure of calcium sulphate dihydrate, CaSO4*2H2O |
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Locality: synthetic |
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_database_code_amcsd 0011093 |
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6.284 15.200 6.523 90 127.41 90 C2/c |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca .5 .07956 .75 .0105 .0124 .0104 0 .0057 0 |
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S 0 .07724 .75 .0084 .0108 .0090 0 .0046 0 |
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O1 .0372 .13198 .5872 .0163 .0187 .0145 .0006 .0093 .0052 |
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O2 .2424 .02211 .9092 .0115 .0179 .0172 .0052 .0075 .0068 |
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OW .6202 .18197 .0784 .0304 .0182 .0157 .0013 .0099 -.0028 |
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H1 .749 .162 .251 .031 |
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H2 .584 .235 .073 .057 |
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