Pigeonite
Camara F, Carpenter M A, Domeneghetti M C, Tazzoli V
American Mineralogist 88 (2003) 1115-1128
Coupling between non-convergent ordering and transition temperature
in the C2/c - P2_1/c phase transition in pigeonite
Sample: BTS-308 n.17-3, after heating at 750 deg C
Locality: Parana, Brazil
_database_code_amcsd 0003149
9.707 8.941 5.247 90 108.48 90 P2_1/c
atom      x     y     z   occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
O1A  -.1326 .3385 .1699       .008   .006   .010   .009   .000   .002   .000
O1b   .3738 .8369 .1343       .009   .006   .010   .010   .000   .002   .000
O2A   .1217 .4996 .3316       .011   .012   .007   .013  -.003   .005  -.001
O2B   .6293 .9874 .3737       .014   .014   .011   .020  -.006   .010  -.007
O3A   .1045 .2372 .0799       .017   .009   .022   .018  -.001   .004      0
O3B   .6050 .7086 .4791       .014   .008   .020   .013   .001   .003   .008
SiA   .0427 .3404 .2776       .007   .006   .006   .010  -.001   .003  -.001
SiB   .5496 .8374 .2382       .007   .006   .006   .008  -.001   .003  -.001
MgM1  .2504 .6546 .2310 .7159 .007   .007   .006   .008   .009   .000   .002
FeM1  .2504 .6546 .2310 .2544 .007   .007   .006   .008   .009   .000   .002
MnM1  .2504 .6546 .2310 .0082 .007   .007   .006   .008   .009   .000   .002
CaM2  .2554 .0188 .2286 .1953 .011   .009   .016   .008   .002   .001   .002
MgM2  .2554 .0188 .2286 .2049 .011   .009   .016   .008   .002   .001   .002
FeM2  .2554 .0188 .2286 .5807 .011   .009   .016   .008   .002   .001   .002
MnM2  .2554 .0188 .2286 .0191 .011   .009   .016   .008   .002   .001   .002