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 = 224 K
Locality: natural, unknown locality
_database_code_amcsd 0018849
4.9564 7.9536 5.7253 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 .4151  .7600 .997 .014   .018   .016   .009      0      0  .0004
Sr     .25 .4151  .7600 .003 .014   .018   .016   .009      0      0  .0004
C      .25 .7636  -.087      .016   .024   .024   .000      0      0  -.005
O1     .25 .9244 -.0953      .015   .025   .008   .010      0      0  -.004
O2   .4748 .6802 -.0870      .015   .019   .014   .013   .007   .001   .001