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.17-1, before heat treatment
Locality: Parana, Brazil
_database_code_amcsd 0003147
9.716 8.946 5.252 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  -.1326 .3381 .1688       .008   .005   .008   .010   .000   .002   .000
O1b   .3736 .8364 .1344       .008   .006   .008   .010   .001   .002   .000
O2A   .1218 .4994 .3324       .010   .011   .007   .013  -.002   .005  -.001
O2B   .6288 .9879 .3726       .014   .014   .010   .020  -.007   .009  -.007
O3A   .1043 .2391 .0765       .018   .007   .024   .022  -.001   .004   .000
O3B   .6050 .7097 .4808       .013   .007   .019   .013   .001   .003   .008
SiA   .0426 .3405 .2761       .006   .005   .005   .010  -.001   .003  -.001
SiB   .5494 .8374 .2386       .006   .005   .005   .007  -.001   .003  -.001
MgM1  .2504 .6547 .2319 .7595 .006   .006   .006   .007   .000   .002   .000
FeM1  .2504 .6547 .2319 .2155 .006   .006   .006   .007   .000   .002   .000
MnM1  .2504 .6547 .2319 .0070 .006   .006   .006   .007   .000   .002   .000
CaM2  .2552 .0190 .2294 .1950 .011   .008   .015   .007   .001   .000   .002
MgM2  .2552 .0190 .2294 .1624 .011   .008   .015   .007   .001   .000   .002
FeM2  .2552 .0190 .2294 .6222 .011   .008   .015   .007   .001   .000   .002
MnM2  .2552 .0190 .2294 .0204 .011   .008   .015   .007   .001   .000   .002