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Hubeite |
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Cooper M A, Hawthorne F C |
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The Canadian Mineralogist 42 (2004) 825-834 |
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The crystal structure of hubeite, a novel sorosilicate mineral |
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_database_code_amcsd 0005941 |
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9.9653 13.9171 6.5703 133.264 101.414 66.302 P-1 |
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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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Fe3+ .12336 .89658 .01858 .94 .0073 .00687 .00725 .00740 -.00184 .00003 .00499 |
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Al .12336 .89658 .01858 .04 .0073 .00687 .00725 .00740 -.00184 .00003 .00499 |
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Mg .12336 .89658 .01858 .04 .0073 .00687 .00725 .00740 -.00184 .00003 .00499 |
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Mn .00897 .29187 .01555 .87 .0094 .0094 .00972 .0108 -.00333 -.00117 .00763 |
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Ca .00897 .29187 .01555 .12 .0094 .0094 .00972 .0108 -.00333 -.00117 .00763 |
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Ca1 .61932 .36094 .00460 .0109 .0092 .0120 .0128 -.00223 -.00026 .0094 |
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Ca2 .19528 .47015 .06104 .0131 .0107 .0173 .0191 -.00588 -.00310 .0150 |
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Si1 .89574 .77879 .56898 .0087 .0099 .0083 .0083 -.0033 -.0008 .0058 |
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Si2 .75432 .60786 .52352 .0083 .0077 .0094 .0091 -.0035 -.0013 .0067 |
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Si3 .40783 .69102 .55270 .0086 .0074 .0094 .0093 -.0019 .0002 .0068 |
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Si4 .18597 .92302 .57705 .0087 .0090 .0086 .0083 -.0023 .0002 .0058 |
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O1 .8064 .94162 .6974 .0112 .0129 .0093 .0122 -.0035 -.0013 .0077 |
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O2 -.0118 .23117 .2302 .0117 .0134 .0123 .0124 -.0050 -.0028 .0096 |
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O3 .9692 .66894 .2470 .0126 .0153 .0110 .0085 -.0024 .0006 .0063 |
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O4 .7629 .7315 .5521 .0145 .0144 .0151 .0217 -.0083 -.0054 .0146 |
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O5 .7962 .46530 .1929 .0123 .0136 .0115 .0093 -.0047 -.0015 .0061 |
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O6 .8498 .5950 .7331 .0125 .0122 .0169 .0140 -.0057 -.0026 .0125 |
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O7 .5808 .6530 .5999 .0168 .0082 .0256 .0244 -.0047 -.0020 .0204 |
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O8 .3926 .55596 .2402 .0131 .0127 .0115 .0105 -.0033 -.0009 .0063 |
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O9 .3155 .74208 .8054 .0116 .0106 .0135 .0125 -.0022 .0015 .0099 |
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O10 .3543 .8183 .5472 .0130 .0109 .0135 .0177 -.0013 .0014 .0125 |
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O11 .1478 .84494 .2563 .0114 .0127 .0111 .0093 -.0041 -.0007 .0065 |
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O12 .08130 .94486 .7725 .0104 .0100 .0100 .0109 -.0016 .0020 .0072 |
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Oh .1938 .07417 -.2791 .0129 .0181 .0096 .0116 -.0056 -.0005 .0069 |
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OW1 .4280 .2521 -.1743 .0195 .0196 .0191 .0182 -.0090 -.0015 .0111 |
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OW2 .5137 .0159 -.2640 .5 .0287 .0171 .0242 .0360 -.0110 -.0060 .0163 |
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OW3 .5080 .0445 -.1273 .5 .0483 .0202 .0471 .0569 -.0117 -.0069 .0287 |
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H1 .205 .070 -.430 .0296 |
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H2 .425 .190 -.3781 .0500 |
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H3 .456 .179 -.165 .0500 |
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H4 .6117 -.003 -.204 .0500 |
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H5 .459 -.024 -.248 .0500 |
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