Priceite
Sun W, Huang Y-X, Li Z, Pan Y, Mi J-X
The Canadian Mineralogist 49 (2011) 823-834
Hydrothermal synthesis and single-crystal X-ray structure refinement of
three borates: sibirskite, parasibirskite and priceite
Locality: synthetic
Note: T = 173 K
_database_code_amcsd 0018466
11.580 6.9844 12.352 90 110.573 90 P2_1/c
atom        x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca(1)  .00800 .75771 .57987        .0077  .0058  .0061 -.0002  .0028  .0006
Ca(2)  .30866 .24418 .37863        .0085  .0064  .0062  .0001  .0030 -.0007
OW(1)   .5087  .3473  .3950        .0129  .0268  .0183 -.0059  .0043  .0026
B(1)    .2490  .7492  .3541         .005   .010   .008 -.0012  .0028 -.0026
B(2)    .0181  .7255  .3284         .008   .006  .0046  .0006  .0001 -.0012
B(3)    .1845  .5344  .4811         .009   .005   .007 -.0013  .0026 -.0021
B(4)    .3032  .2810  .6271         .009   .009  .0025 -.0010  .0010  .0000
B(5)    .2899  .6203  .6904 .0064
O(1)    .3200  .7557  .7756        .0101  .0058  .0058 -.0009  .0053 -.0018
O(2)    .2975  .9158  .4342        .0104  .0067  .0089 -.0003  .0028 -.0032
O(3)    .2667  .5707  .4177        .0082  .0074  .0048  .0004  .0019  .0011
O(4)    .1163  .7835  .2860        .0086  .0093  .0077  .0004  .0035  .0044
O(5)   -.0206  .8926  .3870        .0094  .0093  .0109 -.0007  .0060  .0011
O(6)   -.0907  .6732  .2256        .0076  .0066  .0068 -.0005  .0003   .001
O(7)    .0546  .5652  .4098        .0107  .0049  .0068 -.0013  .0040  .0011
O(8)    .2121  .6706  .5819        .0089  .0061  .0061  .0007  .0027 -.0002
O(9)    .1995  .3349  .5215        .0097  .0051  .0050 -.0005  .0016  .0011
O(10)   .2670  .1177  .6820        .0102  .0060  .0088  .0005  .0023  .0027
O(11)   .4076  .2472  .5891        .0065  .0144  .0094  .0033  .0027  .0004
O(12)   .3312  .4351  .7148        .0129  .0053  .0071  .0007  .0047  .0004
H(1)    .4797  .2262  .6364   .06
H(2)    .3132  .0114  .7063  .035
H(3)    .2568  .9304  .4858  .047
H(4)   -.1021  .8704  .3779  .063
H(5)   -.1029  .5464  .2345  .048
H(6)    .5543  .2638    .44   .05
H(7)    .5328   .466  .3998   .05