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.17-4, after heating at 800 deg C
Locality: Parana, Brazil
_database_code_amcsd 0003150
9.707 8.943 5.246 90 108.47 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 .3386 .1705       .008   .005   .009   .008   .000   .002   .000
O1b   .3738 .8369 .1341       .008   .006   .009   .009   .001   .002   .000
O2A   .1217 .4995 .3315       .010   .012   .007   .012  -.003   .005  -.001
O2B   .6294 .9874 .3741       .013   .014   .011   .019  -.006   .010  -.007
O3A   .1041 .2370 .0802       .016   .008   .021   .018  -.001   .004      0
O3B   .6049 .7084 .4791       .013   .007   .019   .012   .001   .003   .007
SiA   .0426 .3404 .2780       .006   .005   .006   .008  -.001   .003  -.001
SiB   .5497 .8373 .2380       .006   .006   .006   .007  -.001   .002  -.001
MgM1  .2505 .6546 .2307 .7108 .006   .007   .006   .006   .000   .002   .000
FeM1  .2505 .6546 .2307 .2626 .006   .007   .006   .006   .000   .002   .000
MnM1  .2505 .6546 .2307 .0085 .006   .007   .006   .006   .000   .002   .000
CaM2  .2554 .0187 .2283 .1935 .011   .009   .015   .007   .002   .001   .002
MgM2  .2554 .0187 .2283 .2188 .011   .009   .015   .007   .002   .001   .002
FeM2  .2554 .0187 .2283 .5668 .011   .009   .015   .007   .002   .001   .002
MnM2  .2554 .0187 .2283 .0189 .011   .009   .015   .007   .002   .001   .002