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Wiserite |
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Pertlik F, Dunn P J |
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American Mineralogist 74 (1989) 1351-1354 |
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Crystal structure of wiserite |
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_database_code_amcsd 0001283 |
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20.192 20.192 3.281 90 90 90 *P4/n |
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-.25 .25 0 |
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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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Mn1 0 0 0 0.0177 0.0188 0.0255 -.0004 -.0002 -.0012 |
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Mn2 .26828 .03228 .95605 0.0098 0.0109 0.0125 -.0005 -.0001 -.0003 |
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Mn3 .11177 .08627 .46820 0.0097 0.0117 0.0124 .0001 -.0002 -.0004 |
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Mn4 .24573 .88625 .43468 0.0187 0.0137 0.0170 -.0001 -.0045 .0020 |
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B1 .9589 .1203 .4130 0.0106 0.0091 0.0087 .0011 -.0020 .0001 |
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B2 .8637 .0487 .1100 0.0063 0.0111 0.0105 .0009 -.0009 -.0016 |
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OH1 .1085 .1555 .9665 0.0129 0.0092 0.0169 .0021 .0005 -.0012 |
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OH2 .2174 .0811 .4596 0.0099 0.0123 0.0143 .0006 -.0008 -.0010 |
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O1 .8952 .1051 .2650 0.0104 0.0086 0.0258 .0013 -.0041 -.0063 |
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O2 .3146 .9717 .4601 0.0074 0.0134 0.0142 .0016 .0015 -.0020 |
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O3 .0032 .0707 .4817 0.0076 0.0089 0.0150 .0007 -.0018 .0000 |
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O4 .2038 .9437 .9416 0.0073 0.0138 0.0157 .0002 .0003 .0004 |
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O5 .1034 .0078 .9724 0.0092 0.0098 0.0161 .0010 -.0013 -.0010 |
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O6 .2980 .8168 .7822 0.0335 0.1147 0.0604 .0417 .0248 .0640 |
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Mg1 .75 .25 0 .5 0.0086 0.0086 0.0331 0 0 0 |
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Si1 .75 .25 0 .5 0.0086 0.0086 0.0331 0 0 0 |
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Cl1 .75 .75 .7714 .2 .0423 |
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Cl2 .75 .75 .2709 .2 .0463 |
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Cl3 .75 .75 .5230 .2 .0367 |
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Cl4 .75 .75 .0206 .2 .0592 |
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View JMOL 3-D Structure (permalink)
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