Baryte
Hill R J
The Canadian Mineralogist 15 (1977) 522-526
A further refinement of the barite structure
_database_code_amcsd 0005145
8.8842 5.4559 7.1569 90 90 90 Pnma
atom     x     y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba   .1845   .25 .1585  .0023  .0086  .0038      0 -.0003      0
S    .4373   .75 .1913  .0026  .0087  .0033      0  .0003      0
O1   .5890   .75 .1066  .0029  .0174  .0111      0  .0015      0
O2   .3183   .75 .0518  .0070  .0197  .0054      0 -.0017      0
O3   .4204 .9700 .3116  .0035  .0097  .0048  .0015 -.0003 -.0011