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 = 300 min _database_code_amcsd 0003969 9.7120 8.9434 5.2492 90 108.479 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 .016737 .227822 .1764 .009655 .010884 .006616 .000504 .000551 .001822 FeM2A .255246 .016737 .227822 .6041 .009655 .010884 .006616 .000504 .000551 .001822 CaM2A .255246 .016737 .227822 .0648 .009655 .010884 .006616 .000504 .000551 .001822 MnM2A .255246 .016737 .227822 .0255 .009655 .010884 .006616 .000504 .000551 .001822 NaM2A .255246 .016737 .227822 .0030 .009655 .010884 .006616 .000504 .000551 .001822 CaM2B .254252 .048788 .249332 .1261 .012530 MgM1 .250400 .654595 .231763 .7409 .007802 .006714 .007586 .000116 .002519 .000437 Fe2+M1 .250400 .654595 .231763 .2307 .007802 .006714 .007586 .000116 .002519 .000437 Fe3+M1 .250400 .654595 .231763 .0150 .007802 .006714 .007586 .000116 .002519 .000437 TiM1 .250400 .654595 .231763 .0100 .007802 .006714 .007586 .000116 .002519 .000437 MnM1 .250400 .654595 .231763 .0034 .007802 .006714 .007586 .000116 .002519 .000437 SiA .042799 .340555 .276478 .005848 .006358 .009848 -.000585 .003459 -.000675 SiB .549339 .837435 .238611 .9840 .006265 .006257 .007571 -.001127 .002834 -.001079 AlB .549339 .837435 .238611 .0160 .006265 .006257 .007571 -.001127 .002834 -.001079 O1A .867640 .338338 .168987 .006492 .009428 .009489 .000501 .002779 .000099 O2A .121609 .499437 .332027 .012699 .008401 .013336 -.003375 .006551 -.001534 O3A .104203 .261567 .577308 .008604 .022278 .020530 .000670 .003972 .013345 O1B .373585 .836742 .135055 .006845 .009799 .009685 .000519 .003137 -.000020 O2B .628848 .987704 .372461 .014272 .011683 .021332 -.005924 .010477 -.007316 O3B .604845 .709141 .481014 .007354 .020400 .013417 .000560 .003278 .007870