Rhodocrosite
Merlini M, Hanfland M, Gemmi M
American Mineralogist 100 (2015) 2625-2629
The MnCO3-II high-pressure polymorph of rhodocrosite
Note: Sample run1-p4
Note: P = 27.45 GPa
Locality: Sardegna, Italy
_database_code_amcsd 0020345
4.6416 4.6416 13.967 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 .0255  .0225  .0225  .0315  .0112      0      0
Ca1      0 0   0 .04 .0255  .0225  .0225  .0315  .0112      0      0
C1       0 0 .25      .020
O    .2705 0 .25      .026   .017   .026   .040  .0128 -.0017  -.003