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Chiavennite |
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Tazzoli V, Domeneghetti M C, Mazzi F, Cannillo E |
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European Journal of Mineralogy 7 (1995) 1339-1334 |
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The crystal structure of chiavennite |
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_database_code_amcsd 0006609 |
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8.729 31.326 4.903 90 90 90 Pnab |
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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 .2500 .0879 0 .0183 .0275 .0138 .0138 0 .0004 0 |
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Mn 0 0 0 .0152 .0234 .0122 .0099 -.0018 0 .0005 |
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Be -.0003 .0572 -.4298 .0090 .0166 .0075 .0029 -.0010 .0056 -.0030 |
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Si1 .2500 .0013 .5000 .0124 .0170 .0100 .0101 0 -.0014 0 |
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Si2 .5838 .2322 .1047 .0185 .0222 .0113 .0218 .0022 .0023 .0009 |
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Si3 .1425 -.1351 .2436 .0194 .0213 .0120 .0250 -.0005 -.0028 .0013 |
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O1 .1392 -.0279 .3134 .0155 .0169 .0124 .0171 -.0011 -.0019 -.0039 |
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O2 .1517 .0324 -.2957 .0153 .0196 .0123 .0139 .0011 -.0007 -.0015 |
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O3 .0414 .2391 .1347 .0409 .0357 .0431 .0437 .0011 -.0136 -.0149 |
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O4 .2500 -.2478 0 .0285 .0294 .0190 .0371 0 .0088 0 |
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O5 .2500 -.1187 0 .0773 .0768 .0314 .1236 0 .0821 0 |
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O6 .2500 -.1387 .5000 .1049 .1139 .0510 .1497 0 -.1032 0 |
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O7 .0800 -.1824 .1773 .0342 .0350 .0141 .0534 -.0026 .0091 -.0109 |
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O8 .0005 -.1044 .2905 .0207 .0250 .0132 .0239 -.0033 .0043 -.0058 |
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OH .0125 .0581 .2430 .0207 .0266 .0162 .0192 .0017 -.0029 -.0001 |
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Wat .1581 .1474 .2602 .0371 .0431 .0322 .0359 .0098 -.0032 -.0139 |
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