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Sainfeldite |
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Ferraris G, Abbona F |
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Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 95 (1972) 33-41 |
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The crystal structure of Ca5(HAsO4)2(AsO4)2*4H2O (Sainfeldite) |
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Locality: synthetic |
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_database_code_amcsd 0012134 |
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18.781 9.820 10.191 90 97.02 90 C2/c |
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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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Ca1 .5 .39531 .75 .000511 .002048 .001735 .000000 -.000027 .000000 |
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Ca2 .32106 .08094 .18553 .000684 .001763 .002370 -.000082 .000159 .000227 |
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Ca3 .32375 .46774 .14044 .000590 .001737 .002444 -.000096 .000106 -.000503 |
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As1 .41471 .31962 .41581 .000482 .001659 .001515 -.000027 -.000040 -.000076 |
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As2 .65932 .24002 .62295 .000439 .001011 .001417 .000068 .000027 -.000050 |
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O2 .4250 .4313 .2970 .001015 .003241 .002468 -.000382 .000172 .001258 |
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O3 .3388 .2324 .3657 .000691 .004226 .003568 -.001011 .000027 -.001057 |
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O4 .4128 .3940 .5635 .000950 .003992 .001100 .000423 -.000106 -.000982 |
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O5 .6624 .2583 .4591 .001086 .002489 .001784 .000014 .000000 .000025 |
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O6 .7029 .0956 .6740 .000820 .001348 .003959 .000519 .000504 .001107 |
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O7 .7017 .3747 .7009 .000583 .002618 .004130 -.000451 .000199 -.001359 |
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O8 .5726 .2339 .6523 .000612 .002230 .003372 -.000068 .000305 -.000126 |
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Oh1 .4829 .2007 .4305 .001360 .004589 .004570 .001516 -.000544 -.001082 |
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Ow1 .2383 .4115 .4725 .001108 .001944 .003250 .000041 .000491 .000025 |
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Ow2 .5708 .0207 .8395 .001475 .010214 .011436 .001680 .001286 .002039 |
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H1 .515 .230 .500 2.4 |
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H2 .258 .358 .438 1.4 |
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H3 .212 .358 .520 2.1 |
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H4 .564 .110 .780 7.2 |
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H5 .532 -.030 .820 5.6 |
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