Columbite-(Fe) Tarantino S C, Zema M, Pistorino M, Domeneghetti M C Physics and Chemistry of Minerals 30 (2003) 590-598 High-temperature X-ray investigation of natural columbites Note: sample BRA3 at T = 600 C Locality: San Jose de Safira, Minas Gerais, Brazil _database_code_amcsd 0008844 14.3515 5.7610 5.0833 90 90 90 Pbcn atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Fe2+A 0 .3272 .25 .747 .0299 .0257 .0270 .0369 0 .0004 0 Mn2+A 0 .3272 .25 .215 .0299 .0257 .0270 .0369 0 .0004 0 Ti4+A 0 .3272 .25 .027 .0299 .0257 .0270 .0369 0 .0004 0 Nb5+B .1617 .1799 .7440 .947 .0225 .0202 .0183 .0290 .0002 -.0006 -.0002 Ta5+B .1617 .1799 .7440 .047 .0225 .0202 .0183 .0290 .0002 -.0006 -.0002 W6+B .1617 .1799 .7440 .0015 .0225 .0202 .0183 .0290 .0002 -.0006 -.0002 Sc3+B .1617 .1799 .7440 .0015 .0225 .0202 .0183 .0290 .0002 -.0006 -.0002 Ca2+B .1617 .1799 .7440 .0005 .0225 .0202 .0183 .0290 .0002 -.0006 -.0002 Sn4+B .1617 .1799 .7440 .0005 .0225 .0202 .0183 .0290 .0002 -.0006 -.0002 O1 .0970 .1029 .0631 .0251 .0241 .0191 .0321 .0033 .0019 .0016 O2 .0816 .3819 .5941 .0314 .0287 .0285 .0371 .0056 -.0043 -.0006 O3 .2442 .1250 .4167 .0267 .0231 .0233 .0336 -.0027 .0015 .0021