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.17-5, after heating at 850 deg C
Locality: Parana, Brazil
_database_code_amcsd 0003151
9.711 8.944 5.249 90 108.49 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  -.1324 .3385 .1710       .008   .007   .009   .009   .001   .002   .000
O1b   .3738 .8371 .1334       .008   .007   .009   .009   .000   .002  -.001
O2A   .1216 .4995 .3307       .010   .013   .007   .012  -.003   .007  -.001
O2B   .6287 .9875 .3729       .014   .013   .011   .021  -.004   .010  -.006
O3A   .1041 .2369 .0802       .014   .007   .018   .016  -.002   .003  -.009
O3B   .6047 .7089 .4800       .012   .009   .016   .012   .001   .003   .006
SiA   .0426 .3404 .2783       .006   .005   .006   .008  -.001   .003  -.001
SiB   .5497 .8372 .2379       .006   .006   .006   .007  -.001   .003  -.001
MgM1  .2504 .6545 .2304 .6900 .007   .007   .006   .006   .000   .002   .000
FeM1  .2504 .6545 .2304 .2784 .007   .007   .006   .006   .000   .002   .000
MnM1  .2504 .6545 .2304 .0087 .007   .007   .006   .006   .000   .002   .000
CaM2  .2554 .0191 .2282 .1787 .011   .010   .016   .007   .002   .001   .003
MgM2  .2554 .0191 .2282 .2310 .011   .010   .016   .007   .002   .001   .003
FeM2  .2554 .0191 .2282 .5720 .011   .010   .016   .007   .002   .001   .003
MnM2  .2554 .0191 .2282 .0183 .011   .010   .016   .007   .002   .001   .003