Rhodocrosite
Merlini M, Hanfland M, Gemmi M
American Mineralogist 100 (2015) 2625-2629
The MnCO3-II high-pressure polymorph of rhodocrosite
Note: Sample run2-p10
Note: P = 6.33 GPa
Locality: Sardegna, Italy
_database_code_amcsd 0020367
4.7332 4.7332 15.1926 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 .0134  .0164  .0164   .008  .0082      0      0
Ca1      0 0   0 .04 .0134  .0164  .0164   .008  .0082      0      0
C1       0 0 .25      .009
O1   .2701 0 .25      .013   .013   .006   .017  .0030 -.0016  -.003