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.35, annealed at T = 700 C for t = 1000 min _database_code_amcsd 0003971 9.7096 8.9421 5.2464 90 108.476 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 .255246 .016535 .227706 .1769 .009881 .010860 .006728 .000389 .000657 .001834 FeM2A .255246 .016535 .227706 .6035 .009881 .010860 .006728 .000389 .000657 .001834 CaM2A .255246 .016535 .227706 .0616 .009881 .010860 .006728 .000389 .000657 .001834 MnM2A .255246 .016535 .227706 .0256 .009881 .010860 .006728 .000389 .000657 .001834 NaM2A .255246 .016535 .227706 .0030 .009881 .010860 .006728 .000389 .000657 .001834 CaM2B .254276 .048296 .248469 .1294 .011217 MgM1 .250406 .654596 .231746 .7402 .007746 .006860 .007583 .000090 .002480 .000311 Fe2+M1 .250406 .654596 .231746 .2314 .007746 .006860 .007583 .000090 .002480 .000311 Fe3+M1 .250406 .654596 .231746 .0150 .007746 .006860 .007583 .000090 .002480 .000311 TiM1 .250406 .654596 .231746 .0100 .007746 .006860 .007583 .000090 .002480 .000311 MnM1 .250406 .654596 .231746 .0034 .007746 .006860 .007583 .000090 .002480 .000311 SiA .042802 .340553 .276509 .005734 .006484 .009946 -.000551 .003330 -.000624 SiB .549416 .837410 .238584 .9840 .006182 .006322 .007584 -.001129 .002679 -.000970 AlB .549416 .837410 .238584 .0160 .006182 .006322 .007584 -.001129 .002679 -.000970 O1A .867648 .338300 .168847 .006029 .009377 .009442 .000334 .002463 .000063 O2A .121596 .499616 .332059 .012632 .008385 .013071 -.003162 .006160 -.001322 O3A .104169 .261434 .576720 .008638 .023313 .020832 .000541 .004206 .014241 O1B .373639 .836709 .134962 .006738 .009749 .009928 .000549 .003030 -.000112 O2B .628751 .987649 .372776 .014377 .011532 .021460 -.006043 .010293 -.007732 O3B .604701 .709058 .481019 .007732 .019716 .013241 .000584 .003665 .007698