H3BO3
Shuvalov R R, Burns P C
Acta Crystallographica 59 (2003) i47-i49
A new polytype of orthoboric acid, H3BO3-3T
Locality: synthetic
_database_code_amcsd 0018654
7.0453 7.0453 9.5608 90 90 120 P3_2
atom     x     y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
B1   .1837 .6403 .2849 .0485   .045   .056   .050   .029 -.0005  -.002
B2   .5180 .3069 .2964 .0277  .0144  .0177   .053  .0093  .0007  .0015
O1   .0621 .7393 .2805 .0514  .0246  .0384   .097  .0198 -.0021 -.0049
O2   .0864 .4195 .2808 .0467  .0263  .0278  .0859  .0133 -.0038 -.0024
O3   .4090 .7650 .2869 .0441  .0233  .0254   .082  .0108 -.0006 -.0032
O4   .6437 .2103 .2929 .0413  .0279  .0249   .072  .0138 -.0007 -.0025
O5   .2950 .1832 .2998 .0506  .0284  .0379  .0902  .0201 -.0026  .0010
O6   .6136 .5294 .2904 .0464  .0307  .0325  .0772  .0167  .0070  .0080
H1    .133  .877  .316  .015
H2   -.057  .361  .311  .013
H3    .483  .695  .311  .022
H4    .565  .077  .333  .048
H5    .243  .274  .324  .027
H6    .755  .602  .318  .027