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Juabite |
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Burns P C, Clark C M, Gault R A |
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The Canadian Mineralogist 38 (2000) 809-816 |
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Juabite, CaCu10(TeO3)4(AsO4)4(OH)2(H2O)4: Crystal structure and revision |
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of the chemical formula |
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8.9903 10.1197 8.9959 102.654 92.432 70.432 P-1 |
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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 1/2 1/2 0 .0248 .0468 .0188 .0059 -.0083 -.0050 .0018 |
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Cu(1) -.1919 .7993 .0021 .0117 .0085 .0258 .0029 -.0074 -.0032 .0055 |
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Cu(2) .2967 .8412 -.4883 .0104 .0071 .0222 .0045 -.0063 -.0044 .0065 |
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Cu(3) .3921 .5072 -.3755 .0142 .0124 .0202 .0093 -.0025 -.0036 .0072 |
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Cu(4) .6845 .8487 -.3708 .0129 .0066 .0323 .0031 -.0095 -.0031 .0066 |
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Cu(5) -.0734 .7991 .3909 .0154 .0095 .0340 .0060 -.0104 -.0051 .0073 |
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Te(1) .4568 .8379 -.1518 .0114 .0099 .0216 .0056 -.0081 -.0027 .0047 |
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Te(2) .1303 .8342 .1698 .0196 .0162 .0358 .0108 -.0121 -.0037 .0086 |
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As(1) .0656 .7706 -.2751 .0097 .0056 .0220 .0031 -.0060 -.0040 .0046 |
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As(2) .5743 .7899 -.7274 .0082 .0061 .0178 .0018 -.0046 -.0031 .0041 |
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O(1) -.066 .798 .178 .0167 |
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O(2) -.003 .814 -.095 .0175 |
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O(3) .185 .866 -.290 .0145 |
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O(4) .121 .840 .388 .0176 |
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O(5) -.328 .835 -.163 .0103 |
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O(6) -.091 .820 -.388 .0122 |
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O(7) .469 .848 -.364 .0192 |
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OH(8) .390 .597 -.548 .0166 |
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O(9) .387 .888 -.660 .0104 |
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O(10) .607 .842 -.883 .0095 |
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O(11) .601 .614 -.773 .0131 |
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O(12) .265 .654 .107 .0381 |
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O(13) .163 .594 -.336 .0197 |
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O(14) .704 .818 -.593 .0142 |
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Wat(15) .039 .552 .356 .0439 |
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Wat(16) -.131 .558 -.057 .0527 |
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O(17) .490 .645 -.177 .0169 |
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