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Gengenbachite |
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Hu Z B, Wang C X, Tong C Q, Huang Y X, Pan Y, Mi J X |
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The Canadian Mineralogist 51 (2013) 223-232 |
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Crystal structure and magnetic property of synthetic gengenbachite, |
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KH8(Fe2.66Al0.34)(PO4)6*6H2O |
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Locality: synthetic |
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_database_code_amcsd 0020142 |
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9.044 9.044 16.706 90 90 120 P31c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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K(1) 1/3 2/3 .32379 .0436 .0443 .0443 .0423 .0221 0 0 |
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Fe(1) 0 0 .50015 .843 .0088 .0087 .0087 .0088 .0044 0 0 |
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Al(1) 0 0 .50015 .157 .0088 .0087 .0087 .0088 .0044 0 0 |
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Fe(2) 2/3 1/3 .30388 .886 .0071 .0086 .0086 .0039 .0043 0 0 |
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Al(2) 2/3 1/3 .30388 .114 .0071 .0086 .0086 .0039 .0043 0 0 |
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Fe(3) 2/3 1/3 .58153 .933 .0085 .0092 .0092 .0070 .0046 0 0 |
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Al(3) 2/3 1/3 .58153 .067 .0085 .0092 .0092 .0070 .0046 0 0 |
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P(1) .38400 .27486 .44078 .0105 .0103 .0115 .0089 .0049 .0016 .0008 |
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O(1) .4557 .2481 .5173 .0160 .011 .022 .016 .0089 -.0002 -.0010 |
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O(2) .1923 .1560 .4385 .0191 .0113 .030 .0132 .0080 .000 .007 |
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O(3) .4182 .4634 .4394 .0203 .032 .0153 .0171 .0150 -.006 -.002 |
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O(4) .4590 .2497 .3659 .0199 .017 .022 .014 .004 .0061 -.0010 |
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P(2) .44168 .47529 .66906 .0132 .0155 .0159 .0114 .0103 .0000 -.0017 |
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O(5) .4721 .5979 .7362 .0157 .016 .019 .012 .008 .0045 -.0035 |
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O(6) .2833 .2957 .6856 .0252 .020 .026 .023 .0073 .000 -.001 |
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O(7) .5975 .4624 .6558 .0177 .021 .018 .017 .013 .0026 -.0042 |
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O(8) .3907 .5334 .5928 .333 .0294 .048 .040 .0128 .032 -.0038 -.0007 |
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OH(8) .3907 .5334 .5928 .667 .0294 .048 .040 .0128 .032 -.0038 -.0007 |
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Ow(1) .0191 .1831 .5776 .0187 .018 .020 .021 .0116 -.0092 -.0126 |
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Ow(2) .1133 .3058 .3005 .0349 .024 .054 .033 .024 .0059 .019 |
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H(1) .086 .236 .613 .05 |
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H(2) -.056 .205 .566 .05 |
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H(3) .1323 .2584 .3483 .05 |
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H(4) .026 .307 .289 .05 |
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H(5) .3702 .4686 .4875 .05 |
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H(6) .2758 .2479 .7261 .05 |
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View JMOL 3-D Structure (permalink) |
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