Strontianite
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: Dreisteinfurt, Westphalia, Germany
_database_code_amcsd 0018858
5.0914 8.3519 5.9901 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)
Sr     .25 .41598  .7573 .853 .0163  .0175  .0176  .0140      0      0  .0001
Ca     .25 .41598  .7573 .147 .0163  .0175  .0176  .0140      0      0  .0001
C      .25  .7574  -.086       .015   .026   .020   .000      0      0  -.003
O1     .25  .9124 -.0920       .014   .011   .016   .014      0      0  -.007
O2   .4686  .6804 -.0854      .0131   .012   .015   .012   .000  -.002  -.003