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Weddellite |
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Tazzoli V, Domeneghetti M C |
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American Mineralogist 65 (1980) 327-334 |
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The crystal structures of whewellite and weddellite: re-examination and |
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comparison |
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_database_code_amcsd 0000777 |
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12.371 12.371 7.357 90 90 90 I4/m |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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C .4464 .2415 .1053 1.23 .00182 .00263 .00440 .00018 .00006 -.00019 |
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Ca .1993 .3011 0 0.97 .00175 .00159 .00395 .00011 0 0 |
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O1 .3564 .2458 .1829 1.46 .00184 .00367 .00477 .00041 .00048 .00020 |
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O2 .2355 .4634 .1799 2.79 .00981 .00187 .00564 -.00035 -.00133 .00067 |
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OW1 .1490 .1145 0 2.75 .00780 .00270 .00843 -.00059 0 0 |
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OW2 .0192 .3841 0 2.97 .00378 .00633 .01221 .00159 0 0 |
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Wat3 0 0 .683 .58 7.20 .01062 .01062 .03972 0 0 0 |
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Wat30 0 0 .240 .17 7.00 |
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H1 .166 .071 .105 5 |
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H2 .350 .018 .115 5 |
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