Rhodocrosite
Merlini M, Hanfland M, Gemmi M
American Mineralogist 100 (2015) 2625-2629
The MnCO3-II high-pressure polymorph of rhodocrosite
Note: Sample run2-p15
Note: P = 10.88 GPa
Locality: Sardegna, Italy
_database_code_amcsd 0020372
4.7017 4.7017 14.855 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 .0104  .0100  .0100  .0113  .0050      0      0
Ca1      0 0   0 .04 .0104  .0100  .0100  .0113  .0050      0      0
C1       0 0 .25     .0087
O1   .2706 0 .25     .0126  .0089   .013   .018  .0063 -.0018 -.0037