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In(PO4)*2H2O |
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Sugiyama K, Yu J, Hiraga K, Terasaki O |
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Acta Crystallographica C55 (1999) 279-281 |
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Monoclinic InPO4*2H2O |
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Note: H positions from ICSD |
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_database_code_amcsd 0010317 |
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5.4508 10.2229 8.8830 90 91.50 90 P2_1/n |
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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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In .40951 .33006 .30193 .00935 .00824 .00931 .01051 -.00023 .00038 -.00048 |
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P -.08927 .14992 .18222 .00841 .0077 .0086 .0090 .0006 .0006 -.0003 |
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O1 .1699 .1722 .2501 .0162 .0101 .0127 .0256 -.0013 -.0039 -.0037 |
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O2 -.1192 .2192 .0299 .0174 .0270 .0166 .0086 .0048 .0028 .0021 |
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O3 -.2793 .2051 .2899 .0139 .0126 .0173 .0121 .0054 .0024 .0009 |
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O4 -.1270 .0014 .1649 .0131 .0104 .0079 .0211 .0014 -.0009 -.0006 |
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Ow1 .0975 .4551 .2896 .0470 .0097 .0117 .120 .0030 .0094 .0103 |
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Ow2 .4439 .3646 .0619 .0258 .0325 .0322 .0125 -.0038 -.0021 -.0006 |
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H1a .124 .533 .286 .051 |
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H1b -.063 .460 .306 .051 |
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H2a .344 .332 -.006 .051 |
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H2b .569 .340 .020 .051 |
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