Ferrocolumbite
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 = 300 C
Locality: San Jose de Safira, Minas Gerais, Brazil
_database_code_amcsd 0008837
14.3191 5.7482 5.0713 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 .3283   .25  .747 .0213  .0195  .0160  .0284      0 -.0005      0
Mn2+A     0 .3283   .25  .215 .0213  .0195  .0160  .0284      0 -.0005      0
Ti4+A     0 .3283   .25  .027 .0213  .0195  .0160  .0284      0 -.0005      0
Nb5+B .1617 .1797 .7456  .947 .0170  .0169  .0125  .0216 -.0001 -.0002 -.0001
Ta5+B .1617 .1797 .7456  .047 .0170  .0169  .0125  .0216 -.0001 -.0002 -.0001
W6+B  .1617 .1797 .7456 .0015 .0170  .0169  .0125  .0216 -.0001 -.0002 -.0001
Sc3+B .1617 .1797 .7456 .0015 .0170  .0169  .0125  .0216 -.0001 -.0002 -.0001
Ca2+B .1617 .1797 .7456 .0005 .0170  .0169  .0125  .0216 -.0001 -.0002 -.0001
Sn4+B .1617 .1797 .7456 .0005 .0170  .0169  .0125  .0216 -.0001 -.0002 -.0001
O1    .0968 .1029 .0675       .0217  .0213  .0194  .0243 -.0031  .0003  .0028
O2    .0819 .3828 .5972       .0226  .0239  .0212  .0228  .0004  .0008 -.0006
O3    .2444 .1248 .4163       .0217  .0242  .0171  .0238 -.0014  .0017  .0018