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 = 650 C for t = 3120 min _database_code_amcsd 0003985 9.7096 8.9413 5.2470 90 108.499 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 .255332 .016890 .227805 .1659 .010164 .011509 .007187 .000461 .000689 .001758 FeM2A .255332 .016890 .227805 .6145 .010164 .011509 .007187 .000461 .000689 .001758 CaM2A .255332 .016890 .227805 .0798 .010164 .011509 .007187 .000461 .000689 .001758 MnM2A .255332 .016890 .227805 .0256 .010164 .011509 .007187 .000461 .000689 .001758 NaM2A .255332 .016890 .227805 .0030 .010164 .011509 .007187 .000461 .000689 .001758 CaM2B .254466 .049217 .249712 .1111 .012476 MgM1 .250454 .654611 .231556 .7534 .008184 .007012 .007883 .000113 .002620 .000370 Fe2+M1 .250454 .654611 .231556 .2186 .008184 .007012 .007883 .000113 .002620 .000370 Fe3+M1 .250454 .654611 .231556 .0148 .008184 .007012 .007883 .000113 .002620 .000370 TiM1 .250454 .654611 .231556 .0101 .008184 .007012 .007883 .000113 .002620 .000370 MnM1 .250454 .654611 .231556 .0031 .008184 .007012 .007883 .000113 .002620 .000370 SiA .042715 .340487 .276703 .006316 .006487 .010009 -.000608 .003648 -.000663 SiB .549474 .837394 .238494 .9840 .006553 .006335 .007861 -.001068 .002813 -.000849 AlB .549474 .837394 .238494 .0160 .006553 .006335 .007861 -.001068 .002813 -.000849 O1A .867631 .338223 .168908 .007266 .009184 .009761 .000247 .003093 -.000141 O2A .121763 .499324 .332289 .012764 .008255 .013775 -.003476 .006189 -.001537 O3A .104158 .261651 .577691 .009004 .023037 .020501 .000727 .004152 .014218 O1B .373622 .836789 .134527 .007039 .010057 .009897 .000543 .003130 -.000039 O2B .628987 .987459 .373039 .014092 .011448 .021322 -.005840 .009883 -.007214 O3B .604950 .708981 .480852 .008381 .019804 .013387 .000673 .003609 .007481