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Geminite |
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Cooper M A, Hawthorne F C |
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The Canadian Mineralogist 33 (1995) 1111-1118 |
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The crystal structure of geminite, Cu(AsO3OH)(H2O), a heteropolyhedral sheet |
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structure |
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9.841 10.818 15.733 95.71 90.94 103.11 C-1 |
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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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Cu1 .49866 .13660 .04077 .0096 .0055 .0153 .0007 .0046 -.0004 |
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Cu2 .48345 .62955 .45349 .0107 .0070 .0134 -.0002 .0025 .0003 |
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Cu3 .01012 .60394 .44019 .0097 .0072 .0116 -.0004 .0001 .0019 |
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Cu4 .02707 .11589 .06574 .0097 .0064 .0096 -.0003 .0026 .0003 |
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As1 .26543 .82512 .39740 .0070 .0062 .0084 .0006 .0011 .0005 |
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As2 .24963 .88816 .08837 .0067 .0068 .0087 .0016 .0012 .0012 |
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As3 .23023 .37903 .40751 .0068 .0089 .0087 .0004 .0008 .0018 |
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As4 .30803 .33700 .10421 .0066 .0048 .0079 .0009 .0010 .0011 |
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H1 .248 .868 .263 .0032 |
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H2 .262 .092 .135 .0032 |
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H3 .231 .562 .355 .0032 |
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H4 .284 .367 .246 .0032 |
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H5 .122 .519 .208 .0050 |
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H6 .168 .663 .181 .0050 |
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H7 .092 -.001 .339 .0032 |
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H8 .125 .122 .305 .0032 |
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H9 .500 .118 .279 .0032 |
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H10 .379 .187 .330 .0032 |
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H11 .430 .610 .221 .0032 |
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H12 .403 .720 .181 .0032 |
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O1 .3268 .7021 .3564 .0157 .0098 .0174 .0058 .0047 .0011 |
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O2 .1242 .7808 .4571 .0107 .0092 .0141 -.0008 .0047 .0008 |
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O3 .3854 .9373 .4567 .0104 .0103 .0107 -.0008 -.0023 .0007 |
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O4 .2912 .8134 .1688 .0249 .0207 .0110 .0138 .0028 .0074 |
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O5 .1219 .7994 .0219 .0095 .0077 .0132 -.0016 -.0014 .0011 |
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O6 .3881 .9569 .0328 .0093 .0084 .0179 -.0005 .0080 .0009 |
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O7 .1148 .2967 .4696 .0080 .0072 .0142 -.0020 .0043 .0015 |
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O8 .3729 .4591 .4655 .0109 .0108 .0190 -.0029 -.0074 .0050 |
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O9 .2661 .2839 .3237 .0181 .0141 .0106 .0046 .0040 .0013 |
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O10 .3838 .2163 .1225 .0118 .0085 .0141 .0040 .0029 .0042 |
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O11 .1454 .2858 .0610 .0083 .0100 .0148 .0002 -.0017 .0058 |
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O12 .3996 .4445 .0436 .0123 .0058 .0085 -.0012 .0042 .0004 |
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Oh1 .2046 .8932 .3159 .0210 .0159 .0110 .0084 -.0004 .0005 |
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Oh2 .1882 .0149 .1364 .0136 .0131 .0135 .0061 .0029 .0001 |
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Oh3 .1553 .4892 .3635 .0151 .0138 .0171 .0070 .0020 .0059 |
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Oh4 .2999 .4234 .1998 .0254 .0099 .0088 .0039 .0052 -.0017 |
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OW1 .0910 .5877 .1824 .0235 .0251 .0294 .0077 -.0022 .0043 |
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OW2 .0537 .0754 .3401 .0202 .0164 .0165 .0104 .0025 .0010 |
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OW3 .4376 .1241 .3267 .0203 .0190 .0165 .0086 .0001 .0054 |
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OW4 .4726 .6672 .1792 .0184 .0141 .0112 .0069 .0048 .0020 |
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