Aragonite
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 = 527 K
Locality: natural, unknown locality
_database_code_amcsd 0018856
4.9723 7.9983 5.7931 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)
Ca     .25 .41482  .7594 .997 .029   .029   .023   .036      0      0 -.0004
Sr     .25 .41482  .7594 .003 .029   .029   .023   .036      0      0 -.0004
C      .25  .7588 -.0819      .023   .026   .031   .013      0      0  -.007
O1     .25  .9207 -.0921      .035   .042   .019   .044      0      0  -.001
O2   .4738  .6809 -.0838      .034   .018   .037   .048   .009   .001   .002