Rhodocrosite
Merlini M, Hanfland M, Gemmi M
American Mineralogist 100 (2015) 2625-2629
The MnCO3-II high-pressure polymorph of rhodocrosite
Note: Sample run2-p9
Note: P = 5.20 GPa
Locality: Sardegna, Italy
_database_code_amcsd 0020366
4.7388 4.7388 15.287 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 .0139  .0133  .0133  .0151  .0066      0      0
Ca1      0 0   0 .04 .0139  .0133  .0133  .0151  .0066      0      0
C1       0 0 .25      .012
O1   .2684 0 .25      .014   .011   .010   .022  .0052  .0006   .001