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 = 1.794 GPa
_database_code_amcsd 0005006
9.659 8.877 5.218 90 108.09 90 P2_1/c
atom     x     y     z  occ  Uiso
FeA  .2513 .6559 .2305 .253 .0108
MgA  .2513 .6559 .2305 .747 .0108
FeB  .2564 .0205 .2272 .755 .0134
MgB  .2564 .0205 .2272 .124 .0134
CaB   .250  .033  .279 .121   .03
SiA  .0426 .3416 .2736  .99 .0097
AlA  .0426 .3416 .2736  .01 .0097
SiB  .5492 .8382 .2360  .99 .0085
AlB  .5492 .8382 .2360  .01 .0085
O1A   .868 .3380  .169       .009
O1B   .373 .8385  .133       .010
O2A   .123 .5002  .333       .013
O2B   .627 .9894  .370       .015
O3A   .102  .260  .572       .024
O3B   .605  .709  .475       .020