Probertite Menchetti S, Sabelli C, Trosti-Ferroni R Acta Crystallographica B38 (1982) 3072-3075 Probertite, CaNa[B5O7(OH)4]*3H2O: a refinement _database_code_amcsd 0009784 6.588 12.560 13.428 90 99.97 90 P2_1/c atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) Ca .34825 .58776 .09502 .67 .00371 .00106 .00097 .00017 .00010 -.00005 Na .12101 .49557 .32427 1.95 .01091 .00313 .00258 -.00141 -.00096 .00014 B1 .3383 .2414 -.0514 .93 .00333 .00160 .00166 .00012 .00008 -.00027 B2 .5012 .3576 .1030 .84 .00321 .00161 .00141 .00004 .00062 .00008 B3 .1207 .3486 .0448 .86 .00402 .00160 .00127 -.00032 .00024 .00034 B4 .8535 .4396 .1327 .83 .00304 .00161 .00137 .00005 .00022 .00010 B5 .7554 .3092 .2542 .93 .00520 .00142 .00139 .00022 .00021 -.00012 O3 .1431 .2618 -.0147 .98 .00231 .00202 .00179 -.00029 .00031 -.00051 O4 .5135 .2866 .0180 .99 .00361 .00189 .00162 .00007 .00018 -.00063 O5 .2887 .3994 .0986 .93 .00237 .00187 .00170 .00011 .00024 -.00038 O6 .6299 .4526 .0999 .74 .00263 .00121 .00141 .00000 .00024 .00007 O7 .5612 .2979 .1991 1.11 .00450 .00212 .00163 -.00073 -.00022 .00064 O8 .9254 .3805 .0490 .93 .00216 .00227 .00141 -.00002 .00020 -.00035 O9 .9003 .3738 .2267 1.04 .00409 .00216 .00143 -.00055 -.00023 .00054 O10 .7956 .2486 .3412 1.36 .00499 .00281 .00185 -.00079 -.00098 .00089 O11 .9633 .5398 .1521 1.06 .00431 .00125 .00232 -.00028 .00026 -.00011 O12 .4330 .5700 .2789 1.65 .00828 .00289 .00235 .00038 .00013 .00015 O13 .7867 .5057 .4092 2.55 .01491 .00459 .00291 .00160 -.00039 -.00045 O14 .1737 .6419 .4357 2.16 .01035 .00242 .00466 -.00081 .00163 -.00083 Oh1 .3323 .2970 -.1491 1.26 .00806 .00219 .00151 .00063 .00065 -.00017 Oh2 .3497 .1257 -.0627 1.42 .00657 .00169 .00291 .00043 .00044 -.00064 H1 .346 .256 -.199 3.6 H2 .466 .105 -.067 5.0 H3 .902 .255 .372 2.6 H4 .882 .597 .161 3.7 H5 .461 .643 .292 5.7 H6 .536 .543 .304 4.7 H7 .798 .447 .450 4.4 H8 .755 .555 .455 5.4 H9 .070 .675 .448 8.7 H10 .259 .692 .446 6.3