Rhodocrosite
Merlini M, Hanfland M, Gemmi M
American Mineralogist 100 (2015) 2625-2629
The MnCO3-II high-pressure polymorph of rhodocrosite
Note: Sample run2-p22
Note: P = 19.78 GPa
Locality: Sardegna, Italy
_database_code_amcsd 0020379
4.6641 4.6641 14.341 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 .0118  .0112  .0112  .0130  .0056      0      0
Ca1      0 0   0 .04 .0118  .0112  .0112  .0130  .0056      0      0
C1       0 0 .25      .009
O1   .2731 0 .25      .011  .0127   .018   .005  .0088 -.0002   .000