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Probertite |
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Menchetti S, Sabelli C, Trosti-Ferroni R |
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Acta Crystallographica B38 (1982) 3072-3075 |
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Probertite, CaNa[B5O7(OH)4]*3H2O: a refinement |
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_database_code_amcsd 0009784 |
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6.588 12.560 13.428 90 99.97 90 P2_1/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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Ca .34825 .58776 .09502 .67 .00371 .00106 .00097 .00017 .00010 -.00005 |
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Na .12101 .49557 .32427 1.95 .01091 .00313 .00258 -.00141 -.00096 .00014 |
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B1 .3383 .2414 -.0514 .93 .00333 .00160 .00166 .00012 .00008 -.00027 |
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B2 .5012 .3576 .1030 .84 .00321 .00161 .00141 .00004 .00062 .00008 |
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B3 .1207 .3486 .0448 .86 .00402 .00160 .00127 -.00032 .00024 .00034 |
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B4 .8535 .4396 .1327 .83 .00304 .00161 .00137 .00005 .00022 .00010 |
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B5 .7554 .3092 .2542 .93 .00520 .00142 .00139 .00022 .00021 -.00012 |
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O3 .1431 .2618 -.0147 .98 .00231 .00202 .00179 -.00029 .00031 -.00051 |
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O4 .5135 .2866 .0180 .99 .00361 .00189 .00162 .00007 .00018 -.00063 |
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O5 .2887 .3994 .0986 .93 .00237 .00187 .00170 .00011 .00024 -.00038 |
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O6 .6299 .4526 .0999 .74 .00263 .00121 .00141 .00000 .00024 .00007 |
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O7 .5612 .2979 .1991 1.11 .00450 .00212 .00163 -.00073 -.00022 .00064 |
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O8 .9254 .3805 .0490 .93 .00216 .00227 .00141 -.00002 .00020 -.00035 |
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O9 .9003 .3738 .2267 1.04 .00409 .00216 .00143 -.00055 -.00023 .00054 |
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O10 .7956 .2486 .3412 1.36 .00499 .00281 .00185 -.00079 -.00098 .00089 |
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O11 .9633 .5398 .1521 1.06 .00431 .00125 .00232 -.00028 .00026 -.00011 |
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O12 .4330 .5700 .2789 1.65 .00828 .00289 .00235 .00038 .00013 .00015 |
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O13 .7867 .5057 .4092 2.55 .01491 .00459 .00291 .00160 -.00039 -.00045 |
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O14 .1737 .6419 .4357 2.16 .01035 .00242 .00466 -.00081 .00163 -.00083 |
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Oh1 .3323 .2970 -.1491 1.26 .00806 .00219 .00151 .00063 .00065 -.00017 |
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Oh2 .3497 .1257 -.0627 1.42 .00657 .00169 .00291 .00043 .00044 -.00064 |
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H1 .346 .256 -.199 3.6 |
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H2 .466 .105 -.067 5.0 |
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H3 .902 .255 .372 2.6 |
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H4 .882 .597 .161 3.7 |
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H5 .461 .643 .292 5.7 |
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H6 .536 .543 .304 4.7 |
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H7 .798 .447 .450 4.4 |
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H8 .755 .555 .455 5.4 |
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H9 .070 .675 .448 8.7 |
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H10 .259 .692 .446 6.3 |
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