Ferrocolumbite
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=0.898 from S. Jose de Safira, Minas Gerais, Brazil
Sample: Annealed at T = 800 C for t = 7 m
Note: Occupancies calculated assuming complete Fe/Mn disorder
_database_code_amcsd 0003836
14.2733 5.7317 5.0646 90 90 90 Pbcn
atom       x      y       z  occ  Uiso
FeA        0 .32901     .25 .737 .0059
MnA        0 .32901     .25 .195 .0059
NbA        0 .32901     .25 .068 .0059
NbB  .161976 .17932 .747813 .916 .0045
TaB  .161976 .17932 .747813 .050 .0045
FeB  .161976 .17932 .747813 .027 .0045
MnB  .161976 .17932 .747813 .007 .0045
O1    .09620 .10423   .0702      .0070
O2    .41902 .11657   .0966      .0081
O3    .75607 .12332   .0820      .0066