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Hyalotekite |
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Moore P B, Araki T, Ghose S |
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American Mineralogist 67 (1982) 1012-1020 |
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Hyalotekite, a complex lead borosilicate: Its crystal structure and the |
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lone-pair effect of Pb(II) |
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_database_code_amcsd 0000880 |
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11.310 10.955 10.317 90.43 90.02 90.16 I-1 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Pb1 .1543 .1726 .0043 .290 0.0039 0.0124 0.0089 -.0086 -.0012 -.0023 |
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Ba1 .1878 .1924 .0109 .710 0.0467 0.0257 0.0123 0.0182 0.0054 0.0032 |
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Pb2 .8460 .1719 .0046 .291 0.0122 0.0115 0.0100 0.0108 0.0006 -.0017 |
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Ba2 .8097 .1927 .0105 .709 0.0401 0.0232 0.0129 -.0116 -.0067 0.0024 |
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Ca1 .9996 .0031 .2289 0.0095 0.0069 0.0094 0.0011 -.0003 0.0007 |
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Si1 .3172 .4995 .0001 .810 0.0100 0.0156 0.0099 0.0011 -.0010 -.0016 |
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Be .3172 .4995 .0001 .190 0.0100 0.0156 0.0099 0.0011 -.0010 -.0016 |
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Si2 .1936 .5267 .2482 0.0085 0.0108 0.0145 0.0009 -.0002 -.0004 |
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Si3 .8061 .5274 .2480 0.0100 0.0098 0.0141 0.0017 0.0000 -.0005 |
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Si4 .9994 .3222 .2626 0.0128 0.0086 0.0124 0.0002 -.0011 -.0006 |
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Si5 .0002 .7224 .2825 0.0122 0.0082 0.0104 0.0010 -.0005 -.0005 |
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B .4999 .3367 .0305 0.0203 0.0115 0.0101 0.0020 0.0010 0.0008 |
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O1 .8845 .6385 .3068 0.0259 0.0205 0.0192 -.0093 -.0009 -.0037 |
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O2 .8833 .4043 .2314 0.0283 0.0249 0.0365 0.0098 -.0015 -.0081 |
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O3 .1159 .4031 .2325 0.0309 0.0214 0.0363 -.0114 0.0058 -.0042 |
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O4 .1158 .6385 .3062 0.0236 0.0193 0.0192 0.0115 -.0015 -.0025 |
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O5 .2328 .5685 .1035 0.0187 0.0152 0.0158 0.0043 0.0004 0.0026 |
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O6 .7666 .5700 .1031 0.0197 0.0172 0.0178 -.0041 -.0028 0.0008 |
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O7 .6078 .4054 .0791 0.0207 0.0179 0.0129 0.0007 -.0009 -.0008 |
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O8 .3935 .4044 .0796 0.0204 0.0192 0.0091 0.0022 0.0002 -.0009 |
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O9 .5020 .2126 .0868 0.0546 0.0164 0.0143 -.0017 -.0012 0.0004 |
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O10 .4994 .6660 .1133 0.0178 0.0071 0.0177 0.0009 -.0004 -.0014 |
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O11 .0007 .7836 .1428 0.0226 0.0165 0.0133 -.0002 -.0018 0.0016 |
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O12 .9988 .2082 .1657 0.0168 0.0121 0.0109 0.0019 -.0004 -.0006 |
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O13 .3020 .5075 .3424 0.0095 0.0204 0.0174 0.0028 0.0004 0.0011 |
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O14 .6973 .5083 .3422 0.0156 0.0202 0.0153 -.0041 0.0013 0.0011 |
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F 0 0 0 0.0267 0.0266 0.0152 0.0026 0.0022 0.0003 |
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