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 = 265 K
Locality: natural, unknown locality
_database_code_amcsd 0018850
4.9579 7.9595 5.7328 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 .4148  .7596 .997 .010   .017   .005   .008      0      0 -.0010
Sr     .25 .4148  .7596 .003 .010   .017   .005   .008      0      0 -.0010
C      .25  .762  -.086      .010   .000   .031   .000      0      0   .003
O1     .25 .9241 -.0957      .014   .032   .000   .011      0      0   .005
O2   .4744 .6807 -.0872      .008   .007   .006   .012  -.001  -.001  -.002