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 = 20 C Locality: San Jose de Safira, Minas Gerais, Brazil _database_code_amcsd 0008842 14.2880 5.7364 5.0562 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 .3289 .25 .747 .0069 .0061 .0071 .0075 0 -.0002 0 Mn2+A 0 .3289 .25 .215 .0069 .0061 .0071 .0075 0 -.0002 0 Ti4+A 0 .3289 .25 .027 .0069 .0061 .0071 .0075 0 -.0002 0 Nb5+B .1617 .1802 .7479 .947 .0055 .0049 .0052 .0063 .0003 -.0003 -.0001 Ta5+B .1617 .1802 .7479 .047 .0055 .0049 .0052 .0063 .0003 -.0003 -.0001 W6+B .1617 .1802 .7479 .0015 .0055 .0049 .0052 .0063 .0003 -.0003 -.0001 Sc3+B .1617 .1802 .7479 .0015 .0055 .0049 .0052 .0063 .0003 -.0003 -.0001 Ca2+B .1617 .1802 .7479 .0005 .0055 .0049 .0052 .0063 .0003 -.0003 -.0001 Sn4+B .1617 .1802 .7479 .0005 .0055 .0049 .0052 .0063 .0003 -.0003 -.0001 O1 .0971 .1034 .0692 .0075 .0081 .0057 .0088 .0012 -.0003 .0012 O2 .0815 .3827 .5975 .0092 .0085 .0077 .0114 .0013 -.0003 -.0002 O3 .2443 .1238 .4186 .0079 .0084 .0072 .0081 -.0014 -.0003 -.0009