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Cappelenite-(Y) |
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Shen J, Moore P B |
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American Mineralogist 69 (1984) 190-195 |
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Crystal structure of cappelenite, Ba(Y,RE)6[Si3B6O24]F2: a silicoborate |
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sheet structure |
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10.67 10.67 4.680 90 90 120 P3 |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ba 0 0 0 0.0167 0.0167 0.0194 .00835 0 0 |
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Y1 .2155 .4311 .9401 0.0001 0.0039 0.0107 0.0014 0.0001 -.0021 |
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Y2 .4320 .2161 .9722 0.0040 0.0088 0.0173 0.0011 -.0056 -.0049 |
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Si .0088 .5049 .4100 0.0116 0.0074 0.0217 0.0045 0.0017 0.0031 |
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B1 .255 .255 .474 0.0128 0.0001 0.0245 0.0175 0.0032 0.0002 |
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B2 .003 .254 .475 0.0320 0.0001 0.0151 -.0037 -.0089 -.0070 |
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O1 .371 .387 .630 0.0149 0.0234 0.0022 0.0078 0.0062 0.0020 |
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O2 .018 .387 .631 0.0316 0.0230 0.0156 0.0156 -.0093 0.0044 |
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O3 .572 .428 .236 0.0179 0.0018 0.0129 0.0021 -.0003 -.0026 |
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O4 .426 .573 .197 0.0070 0.0106 0.0181 0.0025 -.0037 -.0039 |
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O5 .281 .140 .600 0.0125 0.0190 0.0209 0.0115 0.0039 0.0020 |
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O6 .112 .227 .619 0.0229 0.0244 0.0288 0.0190 -.0035 0.0025 |
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O7 .260 .262 .186 0.0001 0.0079 0.0247 0.0009 -.0038 -.0073 |
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O8 .001 .265 .188 0.0109 0.0167 0.0192 0.0069 0.0088 0.0022 |
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F1 1/3 2/3 .735 1.14 |
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F2 2/3 1/3 .783 0.94 |
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