Rhodocrosite
Merlini M, Hanfland M, Gemmi M
American Mineralogist 100 (2015) 2625-2629
The MnCO3-II high-pressure polymorph of rhodocrosite
Note: Sample run2-p16
Note: P = 11.90 GPa
Locality: Sardegna, Italy
_database_code_amcsd 0020373
4.6955 4.6955 14.7918 90 90 120 R-3c
atom     x y   z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mn1      0 0   0 .96 .0118  .0103  .0103  .0146  .0052      0      0
Ca1      0 0   0 .04 .0118  .0103  .0103  .0146  .0052      0      0
C1       0 0 .25     .0088
O1   .2705 0 .25     .0125  .0088   .012   .018  .0059 -.0016 -.0032