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 = 359 K
Locality: natural, unknown locality
_database_code_amcsd 0018853
4.9638 7.9698 5.7545 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 .41493  .7600 .997 .0188   .020   .013   .024      0      0  .0002
Sr     .25 .41493  .7600 .003 .0188   .020   .013   .024      0      0  .0002
C      .25  .7613 -.0842       .016   .030   .017   .000      0      0   .001
O1     .25  .9226 -.0948       .021   .029   .004   .029      0      0  -.001
O2   .4747  .6801 -.0857       .021   .013   .016   .033   .008   .001  .0031