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 = 415 K
Locality: natural, unknown locality
_database_code_amcsd 0018854
4.9667 7.9775 5.7680 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 .41483  .7599 .997 .024   .026   .017   .030      0      0  .0007
Sr     .25 .41483  .7599 .003 .024   .026   .017   .030      0      0  .0007
C      .25  .7632  -.081      .019   .042   .013   .000      0      0  -.004
O1     .25  .9220 -.0948      .029   .031   .009   .046      0      0  -.002
O2   .4739  .6800 -.0852      .026   .025   .017   .035   .010   .001   .004