Rhodocrosite
Merlini M, Hanfland M, Gemmi M
American Mineralogist 100 (2015) 2625-2629
The MnCO3-II high-pressure polymorph of rhodocrosite
Note: Sample run2-p1
Note: P = .22 GPa
Locality: Sardegna, Italy
_database_code_amcsd 0020358
4.7788 4.7788 15.685 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 .0111  .0097  .0097  .0140  .0048      0      0
Ca1      0 0   0 .04 .0111  .0097  .0097  .0140  .0048      0      0
C1       0 0 .25     .0063
O1   .2689 0 .25     .0120  .0096   .011   .016  .0053 -.0010 -.0020