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Pentahydroborite |
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Kazanskaya E V, Chemodina T N, Egorov-Tismenko Y K, Simonov M A, Belov N V |
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Soviet Physics Crystallography 22 (1977) 35-36 |
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Refined crystal structure of pentahydroborite Ca(B2O(OH)6)*(H2O)2 |
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_database_code_amcsd 0015573 |
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7.845 6.525 8.124 111.62 111.19 73.44 P-1 |
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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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Ca .0003 .4034 .2346 .005351 .004276 .003919 -.000988 .001536 .001331 |
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B1 .681 .377 .847 .004339 .006308 .004301 -.001163 .000480 .000000 |
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B2 .003 .153 .798 .004821 .006308 .002867 -.001163 .000480 .000000 |
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O4 .8543 .3502 .8084 .004821 .005607 .008602 .000581 .002400 .002894 |
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O1 .0589 .0655 .3095 .006749 .005607 .006690 .000116 .000480 .002894 |
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O2 .1155 .1430 .9854 .006267 .009813 .004779 -.001744 .000480 .002894 |
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O3 .1143 .2010 .7037 .005785 .009112 .006690 -.002325 .002400 .002315 |
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O5 .7180 .2989 .0088 .005785 .009112 .003823 .001744 .000480 .003473 |
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O6 .5378 .2593 .6873 .004339 .010514 .005257 -.001163 .000000 .001158 |
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O7 .4050 .3798 .1164 .003856 .007009 .008602 .001163 .001920 .002315 |
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O8 .7925 .4912 .4449 .004339 .011916 .005734 -.001163 .000000 .002894 |
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O9 .5900 .1399 .3530 .011087 .013318 .010035 .001163 .003840 .004630 |
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H1 .089 .078 .436 8 |
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H2 .166 .022 .989 12 |
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H3 .764 .904 .282 17 |
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H4 .614 .274 .053 8 |
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H5 .756 .355 .421 9 |
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H6 .700 .603 .400 9 |
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H7 .311 .324 .053 5 |
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H8 .470 .873 .301 8 |
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H9 .567 .186 .477 5 |
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H10 .530 .239 .277 4 |
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