Rhodocrosite
Merlini M, Hanfland M, Gemmi M
American Mineralogist 100 (2015) 2625-2629
The MnCO3-II high-pressure polymorph of rhodocrosite
Note: Sample run1-p6
Note: P = 31.19 GPa
Locality: Sardegna, Italy
_database_code_amcsd 0020347
4.6278 4.6278 13.797 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 .0175  .0157  .0157  .0211  .0078      0      0
Ca1      0 0   0 .04 .0175  .0157  .0157  .0211  .0078      0      0
C1       0 0 .25     .0125
O    .2715 0 .25      .020  .0139   .023   .027  .0114  .0008   .002