Rhodocrosite
Merlini M, Hanfland M, Gemmi M
American Mineralogist 100 (2015) 2625-2629
The MnCO3-II high-pressure polymorph of rhodocrosite
Note: Sample run2-p0
Note: P = .0001 GPa
Locality: Sardegna, Italy
_database_code_amcsd 0020357
4.7799 4.7799 15.694 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 .0148  .0118  .0118  .0207  .0059      0      0
Ca1      0 0   0 .04 .0148  .0118  .0118  .0207  .0059      0      0
C1       0 0 .25      .011
O1   .2684 0 .25      .016   .008   .009   .031  .0044 -.0016  -.003