Rhodocrosite
Merlini M, Hanfland M, Gemmi M
American Mineralogist 100 (2015) 2625-2629
The MnCO3-II high-pressure polymorph of rhodocrosite
Note: Sample run2-p14
Note: P = 9.82 GPa
Locality: Sardegna, Italy
_database_code_amcsd 0020371
4.7087 4.7087 14.9313 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 .0135  .0129  .0129  .0148  .0064      0      0
Ca1      0 0   0 .04 .0135  .0129  .0129  .0148  .0064      0      0
C1       0 0 .25     .0096
O1   .2716 0 .25     .0142  .0127   .016   .015  .0082 -.0022 -.0044