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 = 7440 min _database_code_amcsd 0003986 9.7079 8.9442 5.2463 90 108.485 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 .255282 .016979 .227891 .1634 .010235 .011727 .007250 .000479 .000740 .001642 FeM2A .255282 .016979 .227891 .6171 .010235 .011727 .007250 .000479 .000740 .001642 CaM2A .255282 .016979 .227891 .0821 .010235 .011727 .007250 .000479 .000740 .001642 MnM2A .255282 .016979 .227891 .0257 .010235 .011727 .007250 .000479 .000740 .001642 NaM2A .255282 .016979 .227891 .0030 .010235 .011727 .007250 .000479 .000740 .001642 CaM2B .254589 .049760 .250257 .1087 .011886 MgM1 .250489 .654620 .231584 .7550 .007807 .007142 .007782 .000092 .002566 .000387 Fe2+M1 .250489 .654620 .231584 .2170 .007807 .007142 .007782 .000092 .002566 .000387 Fe3+M1 .250489 .654620 .231584 .0148 .007807 .007142 .007782 .000092 .002566 .000387 TiM1 .250489 .654620 .231584 .0101 .007807 .007142 .007782 .000092 .002566 .000387 MnM1 .250489 .654620 .231584 .0031 .007807 .007142 .007782 .000092 .002566 .000387 SiA .042729 .340477 .276749 .006018 .006584 .009977 -.000578 .003327 -.000570 SiB .549506 .837426 .238473 .9840 .006361 .006651 .007930 -.001073 .002945 -.000870 AlB .549506 .837426 .238473 .0160 .006361 .006651 .007930 -.001073 .002945 -.000870 O1A .867635 .338173 .169103 .006813 .009824 .009486 .000284 .002934 -.000095 O2A .121774 .499274 .331896 .012401 .008987 .013184 -.003211 .005978 -.001634 O3A .104166 .261712 .578019 .008786 .022801 .020595 .000888 .004273 .013765 O1B .373694 .836702 .134815 .006744 .010149 .010391 .0006 .003333 -.000071 O2B .629061 .987535 .372930 .014553 .012035 .021052 -.006006 .010667 -.007435 O3B .604928 .708950 .480703 .008435 .020421 .013397 .000597 .003743 .007760