Celestine
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 0005557
6.8671 8.3545 5.3458 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)
Sr   .15818 .18395   .25 .01005 .00757 .01681  .00026      0      0
S    .18505 .43797   .75 .00797 .00762 .00896 -.00014      0      0
O1    .0923  .5952   .75  .0195  .0119  .0299   .0084      0      0
O2    .0418  .3071   .75  .0126  .0161  .0210  -.0066      0      0
O3    .3107  .4222 .9744  .0138  .0156  .0116  -.0011 -.0040  .0006