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=0.902 from S. Jose de Safira, Minas Gerais, Brazil
Sample: Annealed at T = 800 C for t = 40 m
Note: Occupancies calculated assuming complete Fe/Mn disorder
_database_code_amcsd 0003858
14.2744 5.7321 5.0616 90 90 90 Pbcn
atom       x      y      z  occ  Uiso
FeA        0 .32897    .25 .739 .0061
MnA        0 .32897    .25 .195 .0061
NbA        0 .32897    .25 .066 .0061
NbB  .161958 .17943 .74774 .917 .0047
TaB  .161958 .17943 .74774 .050 .0047
FeB  .161958 .17943 .74774 .026 .0047
MnB  .161958 .17943 .74774 .007 .0047
O1    .09645 .10415  .0700      .0070
O2    .41903 .11675  .0964      .0084
O3    .75604 .12375  .0821      .0066