Rhodocrosite
Merlini M, Hanfland M, Gemmi M
American Mineralogist 100 (2015) 2625-2629
The MnCO3-II high-pressure polymorph of rhodocrosite
Note: Sample run1-p11a
Note: P = 46.79 GPa
Locality: Sardegna, Italy
_database_code_amcsd 0020353
2.928 4.816 5.545 101.71 94.99 89.90 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   .199 .3067 .7244 .96 .012   .019   .005   .016  -.001   .010   .003
Ca1   .199 .3067 .7244 .04 .012   .019   .005   .016  -.001   .010   .003
C1    .575  .788  .760     .010
O1    .697  .045  .849     .021
O2    .716  .595  .880     .002
O3   -.335  .236  .436     .015