Columbite-(Fe)
Tarantino S C, Zema M
American Mineralogist 90 (2005) 1291-1300
Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
A single-crystal X-ray diffraction study
Sample: BRA n18 Qm=0.988 from S. Jose de Safira, Minas Gerais, Brazil
Sample: Annealed at T = 950 C for t = 3 h
Note: Occupancies calculated assuming complete Fe/Mn disorder
_database_code_amcsd 0003859
14.2852 5.7361 5.0574 90 90 90 Pbcn
atom       x      y       z  occ  Uiso
FeA        0 .32904     .25 .785 .0059
MnA        0 .32904     .25 .207 .0059
NbA        0 .32904     .25 .008 .0059
NbB  .161550 .18024 .747862 .945 .0041
TaB  .161550 .18024 .747862 .051 .0041
FeB  .161550 .18024 .747862 .003 .0041
MnB  .161550 .18024 .747862 .001 .0041
O1    .09692 .10376   .0692      .0059
O2    .41864 .11713   .0977      .0077
O3    .75587 .12388   .0814      .0061