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Shigaite |
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Cooper M A, Hawthorne F C |
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The Canadian Mineralogist 34 (1996) 91-97 |
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The crystal structure of shigaite, [AlMn2(OH)6]3(SO4)2Na(H2O)6{H2O}6, a |
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hydrotalcite-group mineral |
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9.512 9.512 33.074 90 90 120 R-3 |
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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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Mn -.0011 .3336 .16671 .0066 .0062 .0261 .0031 .0003 .0008 |
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Al1 0 0 .16475 .0054 .0054 .0118 .0027 0 0 |
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Al2 1/3 2/3 1/6 .0050 .0050 .0146 .0025 0 0 |
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Na 0 0 0 .0336 .0336 .0324 .0168 0 0 |
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S 2/3 1/3 .03822 .0181 .0181 .0184 .0091 0 0 |
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H1 .584 .156 .1082 .02 |
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H2 .193 .109 .1052 .02 |
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H3 .197 .475 .1087 .02 |
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H4 .172 .507 .035 .07 |
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H5 .004 .394 .054 .07 |
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H6 .172 .262 .055 .07 |
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H7 .320 .242 .045 .07 |
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O1 1/3 2/3 .0063 .0342 .0342 .0118 .0171 0 0 |
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O2 .6144 .1690 .0535 .0373 .0189 .0322 .0138 .0023 .0028 |
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Oh1 .5705 .1373 .1374 .0114 .0072 .0112 .0046 .0009 -.0008 |
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Oh2 .1979 .0984 .1346 .0072 .0101 .0146 .0037 .0021 .0014 |
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Oh3 .2336 .4698 .1361 .0125 .0092 .0125 .0057 .0002 -.0002 |
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OW1 .1180 .4236 .0556 .0280 .0381 .0302 .0165 .0034 .0077 |
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OW2 .2036 .1794 .0501 .0245 .0297 .0384 .0122 .0018 -.0013 |
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