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Weilite |
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Ferraris G, Chiari G |
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Acta Crystallographica B26 (1970) 403-409 |
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The crystal structure of CaHAsO4 (weilite) |
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Locality: synthetic |
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_database_code_amcsd 0009369 |
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7.0591 6.8906 7.2006 97.43 103.55 87.75 P-1 |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca1 .3024 .4323 .2796 .004109 .006989 .002647 .000981 -.002197 .001517 |
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Ca2 .1724 .8339 .6606 .004911 .003588 .003637 -.000997 -.002759 .001838 |
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As1 .2048 .3776 .7243 .001333 .001799 .001228 -.000501 -.001201 .000648 |
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As2 .2978 .9414 .2087 .003079 .004118 .001699 .000421 -.001699 .001201 |
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O2 .3565 .4976 .6274 .008282 .005248 .001917 -.004212 -.001678 .002792 |
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O3 .1361 .1656 .5893 .007273 .004552 .003575 -.003413 -.002098 -.000105 |
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O4 .0235 .5384 .7410 .003875 .005570 .006010 .001866 -.001049 .000053 |
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O5 .3366 .8260 .0003 .002442 .006908 .005492 .000000 -.002989 -.001001 |
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O6 .4650 .1132 .3036 .5 .007698 .009800 .002280 -.003786 -.001416 -.000895 |
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OH6 .4650 .1132 .3036 .5 .007698 .009800 .002280 -.003786 -.001416 -.000895 |
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O7 .0819 .0651 .1601 .5 .004141 .009586 .007098 .002453 -.001311 .004214 |
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OH7 .0819 .0651 .1601 .5 .004141 .009586 .007098 .002453 -.001311 .004214 |
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O8 .2878 .7757 .3537 .012635 .004606 .004715 .003466 .000000 .004003 |
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OH1 .3219 .3363 .9531 .008388 .004713 .003938 .000587 .001049 .002581 |
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