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Simpsonite |
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Ercit T S, Cerny P, Hawthorne F C |
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The Canadian Mineralogist 30 (1992) 663-671 |
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The crystal chemistry of simpsonite |
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7.381 7.381 4.516 90 90 120 P3 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ta .1118 .3910 0 .0085 .0088 .0119 .0042 .0009 .0003 |
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Al1 .423 .303 .496 .0120 .0149 .0139 .0059 .0014 .0007 |
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Al2 0 0 .499 .0087 .0087 .0159 0 0 0 |
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O1 .246 .062 .730 .0077 .0125 .0148 -.0002 .0020 .0007 |
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O2 .392 .472 .777 .0261 .0464 .0154 .0295 -.0055 -.0070 |
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O3 .192 .238 .274 .0231 .0146 .0111 .0102 -.0067 -.0024 |
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O4 .482 .111 .265 .0112 .0239 .0210 -.0003 .0063 .0046 |
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O5 1/3 2/3 .194 .0095 .0095 .0053 .0048 0 0 |
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OH6 2/3 1/3 .691 .0354 .0354 .0098 0 0 .0177 |
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