Witherite
Ye Y, Smyth J R, Boni P
American Mineralogist 97 (2012) 707-712
Crystal structure and thermal expansion of aragonite-group carbonates
by single-crystal X-ray diffraction
Note: T = 300 K
Locality: Hexham, Northumberland, England
_database_code_amcsd 0018857
5.3193 8.9056 6.4353 90 90 90 Pmcn
atom     x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba     .25 .41631 .75452 .981 .0145  .0158  .0127  .0150      0      0  .0004
Sr     .25 .41631 .75452 .019 .0145  .0158  .0127  .0150      0      0  .0004
C      .25  .7570 -.0792       .019   .028   .014   .013      0      0  -.002
O1     .25  .9011 -.0886      .0212   .025   .015   .023      0      0   .001
O2   .4611  .6840 -.0827      .0194   .015   .019   .024   .001   .000   .000