Witherite Holl C M, Smyth J R, Laustsen H M S, Jacobsen S D, Downs R T Physics and Chemistry of Minerals 27 (2000) 467-473 Compression of witherite to 8 GPa and the crystal structure of BaCO3 II Sample: P = 0.00 GPa _database_code_amcsd 0008420 5.316 8.892 6.428 90 90 90 Pmcn atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Ba .25 .41631 .75462 .00914 .00867 .00871 .01004 0 0 .00045 C .25 .7563 .9197 .0105 .0115 .0115 .0086 0 0 -.0016 O1 .25 .9010 .9115 .0158 .0170 .0101 .0201 0 0 -.0016 O2 .4596 .6841 .9194 .0156 .0110 .0142 .0216 .0025 -.0022 .0013