Rhodocrosite
Merlini M, Hanfland M, Gemmi M
American Mineralogist 100 (2015) 2625-2629
The MnCO3-II high-pressure polymorph of rhodocrosite
Note: Sample run1-p0
Note: P = .0001 GPa
Locality: Sardegna, Italy
_database_code_amcsd 0020341
4.7903 4.7903 15.72 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 .0140  .0106  .0106  .0207  .0053      0      0
Ca1      0 0   0 .04 .0140  .0106  .0106  .0207  .0053      0      0
C1       0 0 .25      .008
O    .2667 0 .25      .015   .011   .019   .019   .009 -.0011  -.002