Pigeonite Domeneghetti M C, Zema M, Tazzoli V American Mineralogist 90 (2005) 1816-1823 Kinetics of Fe2+-Mg order-disorder in P2_1/c pigeonite Locality: Parana, Brazil Sample: N.13, annealed at T = 750 C for t = 100 min _database_code_amcsd 0003991 9.7103 8.9444 5.2490 90 108.468 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) MgM2A .255430 .016601 .227333 .1840 .010072 .010993 .006725 .000400 .000808 .001990 FeM2A .255430 .016601 .227333 .5962 .010072 .010993 .006725 .000400 .000808 .001990 CaM2A .255430 .016601 .227333 .0585 .010072 .010993 .006725 .000400 .000808 .001990 MnM2A .255430 .016601 .227333 .0256 .010072 .010993 .006725 .000400 .000808 .001990 NaM2A .255430 .016601 .227333 .0029 .010072 .010993 .006725 .000400 .000808 .001990 CaM2B .254117 .047268 .248772 .1327 .014292 MgM1 .250473 .654505 .231278 .7314 .008074 .006995 .007481 .000076 .002562 .000376 Fe2+M1 .250473 .654505 .231278 .2402 .008074 .006995 .007481 .000076 .002562 .000376 Fe3+M1 .250473 .654505 .231278 .0149 .008074 .006995 .007481 .000076 .002562 .000376 TiM1 .250473 .654505 .231278 .0100 .008074 .006995 .007481 .000076 .002562 .000376 MnM1 .250473 .654505 .231278 .0036 .008074 .006995 .007481 .000076 .002562 .000376 SiA .042806 .340572 .277299 .006224 .006421 .009968 -.000532 .003488 -.000661 SiB .549537 .837392 .238408 .9840 .006507 .006317 .007845 -.001050 .002804 -.000866 AlB .549537 .837392 .238408 .0160 .006507 .006317 .007845 -.001050 .002804 -.000866 O1A .867713 .338339 .169512 .006806 .009610 .009625 .000131 .002942 -.000050 O2A .121601 .499343 .331794 .013119 .008838 .013213 -.003485 .006653 -.001453 O3A .103990 .262082 .578175 .008584 .021332 .020489 .000231 .003929 .012907 O1B .373728 .836778 .134502 .006996 .010242 .009970 .000416 .003045 -.000200 O2B .628888 .987282 .372944 .014269 .012262 .020971 -.005886 .010061 -.007429 O3B .604697 .709102 .480355 .008074 .018918 .013843 .000482 .003218 .007726