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