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.17-2, after heating at 700 deg C Locality: Parana, Brazil _database_code_amcsd 0003148 9.708 8.941 5.244 90 108.52 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 -.1327 .3384 .1699 .008 .005 .009 .009 .000 .002 .000 O1b .3737 .8368 .1339 .008 .006 .010 .009 .000 .002 .000 O2A .1217 .4995 .3318 .010 .011 .007 .012 -.003 .005 -.001 O2B .6293 .9875 .3740 .014 .014 .010 .020 -.006 .010 -.007 O3A .1043 .2375 .0795 .016 .008 .021 .019 -.001 .004 0 O3B .6051 .7086 .4795 .013 .007 .019 .012 .001 .003 .008 SiA .0426 .3404 .2775 .006 .005 .006 .009 -.001 .003 -.001 SiB .5496 .8374 .2380 .006 .005 .006 .007 -.001 .002 -.001 MgM1 .2504 .6546 .2311 .7283 .006 .006 .006 .007 .000 .002 .000 FeM1 .2504 .6546 .2311 .2458 .006 .006 .006 .007 .000 .002 .000 MnM1 .2504 .6546 .2311 .0079 .006 .006 .006 .007 .000 .002 .000 CaM2 .2553 .0188 .2286 .1953 .011 .008 .015 .007 .001 .000 .002 MgM2 .2553 .0188 .2286 .1974 .011 .008 .015 .007 .001 .000 .002 FeM2 .2553 .0188 .2286 .5879 .011 .008 .015 .007 .001 .000 .002 MnM2 .2553 .0188 .2286 .0194 .011 .008 .015 .007 .001 .000 .002