Rhodocrosite
Merlini M, Hanfland M, Gemmi M
American Mineralogist 100 (2015) 2625-2629
The MnCO3-II high-pressure polymorph of rhodocrosite
Note: Sample run2-p21
Note: P = 18.69 GPa
Locality: Sardegna, Italy
_database_code_amcsd 0020378
4.6686 4.6686 14.401 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 .0206  .0171  .0171   .028  .0085      0      0
Ca1     0 0   0 .04 .0206  .0171  .0171   .028  .0085      0      0
C1      0 0 .25      .024
O1   .273 0 .25      .021   .021   .011   .028   .005  .0020   .004