Rhodocrosite
Merlini M, Hanfland M, Gemmi M
American Mineralogist 100 (2015) 2625-2629
The MnCO3-II high-pressure polymorph of rhodocrosite
Note: Sample run1-p9
Note: P = 37.58 GPa
Locality: Sardegna, Italy
_database_code_amcsd 0020350
4.6024 4.6024 13.517 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 .0190  .0171  .0171   .023  .0085      0      0
Ca1      0 0   0 .04 .0190  .0171  .0171   .023  .0085      0      0
C1       0 0 .25      .018
O    .2716 0 .25      .028   .015   .031   .043   .015 -.0032  -.006