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Minasragrite |
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Tachez M, Theobald F R, Watson K J, Mercier R |
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Acta Crystallographica B35 (1979) 1545-1550 |
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Redetermination de la structure du sulfate de vanadyle pentahydrate VOSO4*5H2O |
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Locality: synthetic |
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Note: anisoB's from ICSD |
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_database_code_amcsd 0009674 |
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6.976 9.716 12.902 90 110.90 90 P2_1/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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V .3352 .2271 .1475 1.00 .0052 .0029 .0018 .0005 .0023 -.0002 |
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S .0173 .4486 .176 1.22 .0062 .0032 .0025 .0017 .0033 -.0003 |
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O1 .4224 .2061 .2778 2.13 .0128 .0071 .0025 .0011 .0033 -.0002 |
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O2 .2487 .2477 -.0318 1.93 .0161 .0041 .0023 .0008 .0033 .0007 |
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O3 .0694 .3194 .1281 1.57 .0065 .0036 .0040 .0005 .0043 -.0024 |
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O4 .4605 .4111 .1399 2.12 .0090 .0037 .0066 -.0020 .0091 -.0014 |
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O5 .5742 .1296 .1263 2.28 .0104 .0083 .0038 .0095 .0064 .0035 |
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O6 .1720 .0527 .1048 1.79 .0129 .0033 .0040 -.0023 .0082 -.0013 |
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O7 .0391 .4228 .2912 2.69 .0210 .0080 .0032 .0129 .0090 .0025 |
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O8 -.1947 .4821 .1094 1.82 .0061 .0047 .0045 .0023 .0038 .0018 |
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O9 .1569 .5579 .1706 2.11 .0094 .0042 .0055 -.0029 .0057 -.0017 |
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O10 .7252 .3141 .4682 2.01 .0111 .0052 .0035 -.0002 .0033 .0003 |
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H12 .194 .303 .421 4 |
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H22 .225 .176 .445 5.3 |
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H14 .396 .473 .143 3.8 |
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H24 .577 .432 .133 5.7 |
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H15 .605 .150 .076 3.6 |
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H25 .679 .111 .189 6.1 |
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H16 .111 .021 .146 3.9 |
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H26 .214 -.013 .077 4 |
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H110 .654 .276 .416 3.8 |
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H210 .827 .262 .497 5.3 |
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