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 = 800 C for t = 60 min _database_code_amcsd 0003977 9.7075 8.9444 5.2461 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 .255404 .016822 .227525 .1994 .010191 .011673 .007229 .000561 .000695 .001940 FeM2A .255404 .016822 .227525 .5817 .010191 .011673 .007229 .000561 .000695 .001940 CaM2A .255404 .016822 .227525 .0870 .010191 .011673 .007229 .000561 .000695 .001940 MnM2A .255404 .016822 .227525 .0249 .010191 .011673 .007229 .000561 .000695 .001940 NaM2A .255404 .016822 .227525 .0030 .010191 .011673 .007229 .000561 .000695 .001940 CaM2B .254217 .049436 .249829 .1039 .010248 MgM1 .250461 .654532 .231116 .7206 .007711 .007171 .007672 .000138 .002449 .000416 Fe2+M1 .250461 .654532 .231116 .2508 .007711 .007171 .007672 .000138 .002449 .000416 Fe3+M1 .250461 .654532 .231116 .0148 .007711 .007171 .007672 .000138 .002449 .000416 TiM1 .250461 .654532 .231116 .0101 .007711 .007171 .007672 .000138 .002449 .000416 MnM1 .250461 .654532 .231116 .0037 .007711 .007171 .007672 .000138 .002449 .000416 SiA .042818 .340477 .277474 .006000 .006455 .009961 -.000582 .003340 -.000670 SiB .549609 .837378 .238426 .9840 .006197 .006376 .007886 -.001021 .002750 -.000978 AlB .549609 .837378 .238426 .0160 .006197 .006376 .007886 -.001021 .002750 -.000978 O1A .867503 .338360 .169860 .006708 .009564 .009657 .000132 .002669 -.000012 O2A .121842 .499339 .331473 .012862 .008471 .012819 -.003394 .006258 -.001528 O3A .103949 .262512 .579004 .008784 .022109 .019553 .000791 .003945 .012611 O1B .373643 .836806 .134674 .006869 .010265 .010029 .000351 .003221 -.000087 O2B .629215 .987161 .373353 .014737 .011807 .021016 -.006304 .010286 -.007607 O3B .604789 .708736 .480196 .008019 .019792 .013110 .000232 .002839 .007491