Rhodocrosite
Merlini M, Hanfland M, Gemmi M
American Mineralogist 100 (2015) 2625-2629
The MnCO3-II high-pressure polymorph of rhodocrosite
Note: Sample run1-p11
Note: P = 44.46 GPa
Locality: Sardegna, Italy
_database_code_amcsd 0020352
2.936 4.841 5.568 100.82 94.93 90.18 P-1
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   .197 .3078 .7281 .96 .017   .013   .018   .021   .004   .001   .005
Ca1   .197 .3078 .7281 .04 .017   .013   .018   .021   .004   .001   .005
C1    .567  .800  .770     .007
O1    .734  .064  .825     .009
O2    .721  .614  .875     .014
O3   -.295  .253  .420     .015