Baryte
Jacobsen S D, Smyth J R, Swope R J, Downs R T
The Canadian Mineralogist 36 (1998) 1053-1060
Rigid-body character of the SO4 groups in celestine, anglesite and
barite
_database_code_amcsd 0005560
7.1540 8.8790 5.4540 90 90 90 Pbnm
atom      x      y     z U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3) U(2,3)
Ba   .15842 .18453   .25 .01025 .00843 .01298 -.00048      0      0
S    .19082 .43749   .75  .0091  .0084  .0093  .00033      0      0
O1    .1072  .5870   .75  .0266  .0131  .0280   .0105      0      0
O2    .0498  .3176   .75  .0117  .0209  .0202  -.0067      0      0
O3    .3118  .4194 .9704  .0149  .0149  .0103  -.0020 -.0028  .0008