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Burnsite |
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Burns P C, Krivovichev S V, Filatov S K |
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The Canadian Mineralogist 40 (2002) 1587-1595 |
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New Cu coordination polyhedra in the crystal structure of burnsite, |
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KCdCu7O2(SeO3)2Cl9 |
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_database_code_amcsd 0005796 |
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8.7805 8.7805 15.521 90 90 120 P6_3/mmc |
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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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K 0 0 1/4 .0609 .080 .080 .023 .0398 0 0 |
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Cd 0 0 0 .0205 .0212 .0212 .0192 .0106 0 0 |
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Cu(1) -.45264 -.54736 .09057 .0157 .0200 .0200 .0137 .0150 -.0013 .0013 |
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Cu(2) 2/3 1/3 1/4 .0134 .0169 .0169 .0063 .0085 0 0 |
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Se 1/3 2/3 .09730 .0131 .0147 .0147 .0099 .0073 0 0 |
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O(1) 2/3 1/3 .1267 .0112 .012 .012 .010 .0058 0 0 |
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O(2) -.5696 -.1392 .0447 .0210 .026 .011 .021 .0053 -.0005 -.001 |
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Cl(1) -.13697 -.2739 .10178 .0402 .0571 .0221 .0299 .0110 .0020 .0041 |
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Cl(2) -.4945 -.5055 1/4 .0352 .0433 .0433 .0370 .0350 0 0 |
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View JMOL 3-D Structure (permalink)
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