Rhodocrosite
Merlini M, Hanfland M, Gemmi M
American Mineralogist 100 (2015) 2625-2629
The MnCO3-II high-pressure polymorph of rhodocrosite
Note: Sample run2-p3
Note: P = 1.62 GPa
Locality: Sardegna, Italy
_database_code_amcsd 0020360
4.7714 4.7714 15.578 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  .0093  .0093  .0155  .0046      0      0
Ca1      0 0   0 .04 .0114  .0093  .0093  .0155  .0046      0      0
C1       0 0 .25     .0085
O1   .2681 0 .25     .0116  .0081   .013   .015  .0066  .0006  .0012