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Epsomite |
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Fortes A D, Wood I G, Alfredsson M, Vocadlo L, Knight K S |
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European Journal of Mineralogy 18 (2006) 449-462 |
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The thermoelastic properties of MgSO4*7D2O (epsomite) from powder neutron |
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diffraction and ab initio calculation |
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Locality: synthetic |
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Sample: T = 2 K |
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11.897133 11.90851 6.78729 90 90 90 P2_12_12_1 |
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atom x y z Uiso |
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Mg .41931 .10562 .0393 .0053 |
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S .72310 .18174 .4978 .0017 |
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O1s .67859 .07070 .4310 .0024 |
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O2s .84651 .17922 .4782 .0050 |
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O3s .68582 .20434 .6975 .0015 |
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O4s .67809 .27187 .3646 .0045 |
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O1w .26201 .17315 .0004 .0115 |
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O2w .46935 .24881 .1961 .0042 |
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O3w .46353 .17443 .7749 .0051 |
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O4w .57480 .04448 .0754 .0094 |
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O5w .37148 .95860 .8890 .0069 |
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O6w .35937 .03815 .2939 .0076 |
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O7w .49961 .43503 .9345 .0020 |
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D11 .23099 .22029 .1028 .0186 |
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D12 .23445 .19687 .8746 .0192 |
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D21 .42040 .27324 .3051 .0192 |
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D22 .54585 .25374 .2558 .0192 |
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D31 .42060 .22382 .6911 .0177 |
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D32 .54590 .18209 .7427 .0159 |
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D41 .62292 .05379 .1949 .0165 |
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D42 .60617 .97523 .0189 .0183 |
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D51 .36205 .89144 .9724 .0213 |
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D52 .42026 .94056 .7764 .0195 |
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D61 .28203 .02765 .3289 .0205 |
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D62 .40230 .99809 .3972 .0205 |
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D71 .43179 .48285 .9538 .0238 |
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D72 .47695 .36651 .0038 .0197 |
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