Barite 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 0005559 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