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 = 0.984 GPa
_database_code_amcsd 0005005
9.701 8.887 5.226 90 108.38 90 P2_1/c
atom     x     y     z  occ  Uiso
FeA  .2520 .6560 .2328 .253 .0115
MgA  .2520 .6560 .2328 .747 .0115
FeB  .2559 .0206 .2280 .755 .0140
MgB  .2559 .0206 .2280 .124 .0140
CaB   .248  .016  .281 .121   .03
SiA  .0428 .3411 .2747  .99 .0106
AlA  .0428 .3411 .2747  .01 .0106
SiB  .5489 .8370 .2375  .99 .0088
AlB  .5489 .8370 .2375  .01 .0088
O1A   .870 .3409  .170       .010
O1B   .372 .8375  .132       .010
O2A   .123 .4999  .333       .009
O2B   .627  .989  .368       .019
O3A   .105  .260  .576       .021
O3B   .606  .711  .478       .017