Baryte
Miyake M, Minato I, Morikawa H, Iwai S I
American Mineralogist 63 (1978) 506-510
Crystal structure and sulphate force constants of barite, celesite, and
anglesite
_database_code_amcsd 0000663
7.157 8.884 5.457 90 90 90 Pbnm
atom     x     y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba   .1585 .1845   .25  .0042  .0027  .0087 -.0002      0      0
S    .1911 .4375   .75  .0037  .0028  .0062 -.0001      0      0
O1   .1060 .5878   .75  .0090  .0043  .0170  .0026      0      0
O2   .0494 .3177   .75  .0039  .0088  .0140 -.0030      0      0
O3   .3114 .4199 .9702  .0054  .0048  .0071 -.0003 -.0012  .0001