Thorikosite
Rouse R C, Dunn P J
Journal of Solid State Chemistry 57 (1985) 389-395
The structure of thorisokite, a naturally occurring member of the bismuth oxyhalide group
_database_code_amcsd 0013547
3.919 3.919 12.854 90 90 90 I4/mmm
atom x  y     z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Pb   0  0 .1475 .75  2.9   .043   .043  .0052      0      0      0
Sb   0  0 .1475 .15  2.9   .043   .043  .0052      0      0      0
As   0  0 .1475  .1  2.9   .043   .043  .0052      0      0      0
O    0 .5   .25 .75  4.4    .09    .09   .003      0      0      0
OH   0 .5   .25 .25  4.4    .09    .09   .003      0      0      0
Cl   0  0    .5      5.2    .05    .05   .014      0      0      0