Rhodocrosite
Merlini M, Hanfland M, Gemmi M
American Mineralogist 100 (2015) 2625-2629
The MnCO3-II high-pressure polymorph of rhodocrosite
Note: Sample run1-p2
Note: P = 23.65 GPa
Locality: Sardegna, Italy
_database_code_amcsd 0020343
4.6554 4.6554 14.149 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 .0164  .0151  .0151   .019  .0076      0      0
Ca1     0 0   0 .04 .0164  .0151  .0151   .019  .0076      0      0
C1      0 0 .25      .013
O    .272 0 .25      .019   .012   .024   .025   .012 -.0008  -.002