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 = 300 K, high-temperature experiment
Locality: natural, unknown locality
_database_code_amcsd 0018852
4.9615 7.9629 5.7428 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 .017   .018   .016   .017      0      0 -.0016
Sr     .25 .4151  .7600 .003 .017   .018   .016   .017      0      0 -.0016
C      .25  .764  -.085      .017   .017   .034   .000      0      0   .004
O1     .25 .9246  -.096      .019   .029   .005   .024      0      0   .000
O2   .4753 .6807 -.0861      .017   .008   .017   .026   .006   .002   .003