Rhodocrosite
Merlini M, Hanfland M, Gemmi M
American Mineralogist 100 (2015) 2625-2629
The MnCO3-II high-pressure polymorph of rhodocrosite
Note: Sample run2-p7
Note: P = 4.39 GPa
Locality: Sardegna, Italy
_database_code_amcsd 0020364
4.7409 4.7409 15.319 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 .0114  .0101  .0101  .0140  .0050      0      0
Ca1     0 0   0 .04 .0114  .0101  .0101  .0140  .0050      0      0
C1      0 0 .25      .011
O1   .269 0 .25     .0112  .0109   .010   .013  .0049 -.0009 -.0017