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Aubertite |
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Ginderow D, Cesbron F |
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Acta Crystallographica B35 (1979) 2499-2502 |
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Structure cristalline de l'aubertite, AlCuCl(SO4)2*14H2O |
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Note: anisotropic displacement parameters obtained from ICSD |
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6.282 13.192 6.260 91.85 94.70 82.46 P-1 |
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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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Cu .5 .5 0 1.8 .0095 .0032 .0121 -.0005 .0007 .0014 |
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Al .5 0 .5 1.0 .0059 .0016 .0056 .0001 .0005 .0005 |
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S .9838 .1895 .0647 1.1 .0071 .0018 .0066 .0001 -.0003 .0005 |
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O1 .0495 .2922 .0883 2.0 .0120 .0023 .0175 -.0013 -.0016 .0007 |
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O2 .9497 .1527 .2769 2.0 .0090 .0046 .0102 .0002 .0026 .0033 |
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O3 .1586 .1201 .9740 2.1 .0167 .0039 .0078 .0041 .0027 .0007 |
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O4 .7847 .1926 .9245 2.1 .0122 .0027 .0158 -.0008 -.0075 .0007 |
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O5 .5765 .1221 .4043 1.7 .0094 .0017 .0153 -.0004 .0035 .0014 |
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O6 .2371 .0710 .5760 1.5 .0078 .0032 .0072 .0016 .0012 .0006 |
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O7 .6241 .0246 .7783 1.5 .0120 .0020 .0074 -.0002 -.0027 .0003 |
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O8 .5852 .4419 .2818 3.1 .0160 .0069 .0130 -.0053 -.0052 .0054 |
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O9 .7929 .4557 .9183 2.6 .0101 .0043 .0208 .0013 .0065 .0044 |
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O10 .4085 .3358 .8865 2.4 .0118 .0035 .0191 -.0005 .0033 .0018 |
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O11 .3643 .3042 .4479 2.2 .0146 .0025 .0160 .0001 .0004 .0007 |
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Cl 0 .5 .5 2.4 .0109 .0052 .0124 -.0008 .0000 -.0001 |
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H5 .713 .128 .362 2. |
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H5' .492 .175 .406 2. |
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H6 .145 .095 .490 2. |
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H6' .204 .090 .715 2. |
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H7 .675 .079 .799 2. |
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H7' .302 .030 .143 2. |
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H8 .504 .386 .357 2. |
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H8' .701 .457 .370 2. |
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H9 .159 .531 .192 2. |
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H9' .911 .407 .996 2. |
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H10 .299 .316 .965 2. |
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H10' .492 .286 .919 2. |
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H11 .360 .320 .600 2. |
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H11' .257 .306 .392 2. |
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