Rhodocrosite
Merlini M, Hanfland M, Gemmi M
American Mineralogist 100 (2015) 2625-2629
The MnCO3-II high-pressure polymorph of rhodocrosite
Note: Sample run1-p13
Note: P = 41.55 GPa
Locality: Sardegna, Italy
_database_code_amcsd 0020355
2.940 4.856 5.584 101.99 95.58 89.65 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   .195 .306 .7257 .96 .037   .046   .040   .020   .025  -.001  -.004
Ca1   .195 .306 .7257 .04 .037   .046   .040   .020   .025  -.001  -.004
C1    .635 .846  .735     .022
O1     .70 .048  .846     .030
O2    .729 .617  .863     .006
O3   -.337 .242  .431     .018