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 = 240 min _database_code_amcsd 0003981 9.7086 8.9421 5.2473 90 108.503 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 .255305 .016890 .227899 .1537 .009718 .011363 .006924 .000380 .000717 .001736 FeM2A .255305 .016890 .227899 .6267 .009718 .011363 .006924 .000380 .000717 .001736 CaM2A .255305 .016890 .227899 .0774 .009718 .011363 .006924 .000380 .000717 .001736 MnM2A .255305 .016890 .227899 .0258 .009718 .011363 .006924 .000380 .000717 .001736 NaM2A .255305 .016890 .227899 .0030 .009718 .011363 .006924 .000380 .000717 .001736 CaM2B .254254 .050202 .250248 .1133 .011704 MgM1 .250461 .654632 .231609 .7647 .007675 .007194 .007838 .000095 .002625 .000328 Fe2+M1 .250461 .654632 .231609 .2074 .007675 .007194 .007838 .000095 .002625 .000328 Fe3+M1 .250461 .654632 .231609 .0148 .007675 .007194 .007838 .000095 .002625 .000328 TiM1 .250461 .654632 .231609 .0101 .007675 .007194 .007838 .000095 .002625 .000328 MnM1 .250461 .654632 .231609 .0029 .007675 .007194 .007838 .000095 .002625 .000328 SiA .042718 .340542 .276645 .005841 .006635 .009774 -.000508 .003413 -.000646 SiB .549430 .837459 .238439 .9840 .006168 .006558 .007756 -.000985 .002808 -.000876 AlB .549430 .837459 .238439 .0160 .006168 .006558 .007756 -.000985 .002808 -.000876 O1A .867550 .338125 .168674 .006517 .009713 .009685 .000315 .002815 -.000242 O2A .121644 .499373 .331955 .012152 .008849 .013529 -.003174 .006261 -.001413 O3A .104077 .261626 .577597 .008705 .022937 .020056 .000704 .004239 .013726 O1B .373622 .836601 .134632 .006664 .010314 .009731 .000462 .003133 -.000133 O2B .628993 .987466 .372854 .013985 .011766 .021253 -.005932 .009845 -.007153 O3B .604874 .709021 .480717 .007487 .020526 .013116 .000661 .003153 .007827