Rhodocrosite
Merlini M, Hanfland M, Gemmi M
American Mineralogist 100 (2015) 2625-2629
The MnCO3-II high-pressure polymorph of rhodocrosite
Note: Sample run1-p1
Note: P = 22.50 GPa
Locality: Sardegna, Italy
_database_code_amcsd 0020342
4.6581 4.6581 14.213 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 .0290  .0244  .0244   .038  .0122      0      0
Ca1      0 0   0 .04 .0290  .0244  .0244   .038  .0122      0      0
C1       0 0 .25      .025
O    .2721 0 .25      .031   .023   .030   .044   .015 -.0052  -.010