Barite 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 0000662 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