Rhodocrosite
Merlini M, Hanfland M, Gemmi M
American Mineralogist 100 (2015) 2625-2629
The MnCO3-II high-pressure polymorph of rhodocrosite
Note: Sample run1-p3
Note: P = 25.34 GPa
Locality: Sardegna, Italy
_database_code_amcsd 0020344
4.6473 4.6473 14.075 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 .0280  .0237  .0237   .037  .0119      0      0
Ca1      0 0   0 .04 .0280  .0237  .0237   .037  .0119      0      0
C1       0 0 .25      .021
O    .2713 0 .25      .030   .018   .027   .049   .013 -.0028  -.006