Pigeonite
Alvaro M, Nestola F, Ballaran T B, Camara F, Domeneghetti M C, Tazzoli V
American Mineralogist 95 (2010) 300-311
High-pressure phase transition of a natural pigeonite
Locality: Parana, Brazil
Note: P = 0.047 GPa
_database_code_amcsd 0005004
9.722 8.941 5.247 90 108.5 90 P2_1/c
atom     x     y     z  occ  Uiso
FeA  .2514 .6549 .2331 .253 .0113
MgA  .2514 .6549 .2331 .747 .0113
FeB  .2564 .0188 .2300 .755 .0142
MgB  .2564 .0188 .2300 .124 .0142
CaB   .252  .027  .283 .121   .03
SiA  .0432 .3401 .2748  .99 .0100
AlA  .0432 .3401 .2748  .01 .0100
SiB  .5477 .8377 .2385  .99 .0083
AlB  .5477 .8377 .2385  .01 .0083
O1A   .869 .3378  .170       .012
O1B   .371 .8379  .133       .009
O2A   .123 .4987  .333       .011
O2B   .628 .9868  .367       .020
O3A   .104 .2621  .574       .020
O3B   .606 .7128  .484       .018