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Pachnolite |
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Hawthorne F C, Ferguson R B |
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The Canadian Mineralogist 21 (1983) 561-566 |
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The crystal structure of pachnolite |
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_database_code_amcsd 0005195 |
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12.117 10.414 15.680 90 90.37 90 *F2/d |
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0 0 .25 |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Al .34562 .1259 .37241 .00087 .00180 .00057 .00005 .00006 .00005 |
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Ca1 3/8 .1736 1/8 .00094 .00195 .00076 0 .00013 0 |
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Ca2 3/8 .5694 1/8 .00094 .00191 .00061 0 .00006 0 |
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Na .6292 .1274 -.0040 .00238 .00397 .00189 .00059 .00029 .00016 |
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F1 .0542 -.0009 .1396 .00150 .00282 .00156 .00046 .00015 -.00017 |
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F2 .2599 -.0093 .1014 .00208 .00288 .00143 -.00082 .00054 -.00017 |
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F3 .3145 .1138 .2602 .00265 .00395 .00065 -.00075 -.00006 .00005 |
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F4 .3792 .1430 .4852 .00295 .00368 .00066 -.00024 -.00007 -.00012 |
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F5 .1982 .2505 .1039 .00137 .00293 .00148 .00057 -.00019 -.00023 |
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F6 -.0092 .2530 .1341 .00170 .00298 .00212 -.00106 .00033 -.00031 |
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O .3930 .3753 .0349 .00230 .00319 .00091 .00003 .00001 -.00010 |
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H1 .351 .371 .000 1.0 |
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H2 .461 .360 .027 1.0 |
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View JMOL 3-D Structure (permalink)
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