Rhodocrosite
Merlini M, Hanfland M, Gemmi M
American Mineralogist 100 (2015) 2625-2629
The MnCO3-II high-pressure polymorph of rhodocrosite
Note: Sample run2-p6
Note: P = 3.57 GPa
Locality: Sardegna, Italy
_database_code_amcsd 0020363
4.7426 4.7426 15.368 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 .0115  .0114  .0114   .012  .0057      0      0
Ca1     0 0   0 .04 .0115  .0114  .0114   .012  .0057      0      0
C1      0 0 .25      .013
O1   .269 0 .25      .013   .011   .014   .014  .0072 -.0006  -.001