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, low-temperature experiment
Locality: natural, unknown locality
_database_code_amcsd 0018851
4.9596 7.9644 5.7416 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 .4150  .7596 .997 .015   .022   .016   .009      0      0 -.0004
Sr     .25 .4150  .7596 .003 .015   .022   .016   .009      0      0 -.0004
C      .25  .762  -.088      .017   .017   .033   .000      0      0  -.004
O1     .25 .9235 -.0951      .018   .032   .008   .015      0      0   .001
O2   .4750 .6804 -.0870      .016   .014   .019   .014   .004   .002  -.001