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=0.618 from S. Jose de Safira, Minas Gerais, Brazil
Note: Occupancies calculated assuming complete Fe/Mn disorder
_database_code_amcsd 0003830
14.2427 5.7290 5.0856 90 90 90 Pbcn
atom       x      y      z  occ  Uiso
FeA        0 .33008    .25 .589 .0077
NbA        0 .33008    .25 .250 .0077
MnA        0 .33008    .25 .156 .0077
TaA        0 .33008    .25 .005 .0077
NbB  .162922 .17652 .74777 .825 .0066
FeB  .162922 .17652 .74777 .100 .0066
TaB  .162922 .17652 .74777 .048 .0066
MnB  .162922 .17652 .74777 .027 .0066
O1    .09492  .1065  .0718      .0091
O2    .42004  .1170  .0936      .0100
O3    .75627  .1218  .0823      .0082