Columbite-(Mn)
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: KRA n4 Qm=0.817 from Kragero, Norway
Sample: Annealed at T = 600 C for t = 67 h
Note: Occupancies calculated assuming complete Fe/Mn disorder
_database_code_amcsd 0003863
14.352 5.740 5.093 90 90 90 Pbcn
atom       x      y      z  occ  Uiso
MnA        0 .32118    .25 .687 .0087
FeA        0 .32118    .25 .123 .0087
NbA        0 .32118    .25 .077 .0087
TaA        0 .32118    .25 .040 .0087
TiA        0 .32118    .25 .030 .0087
CaA        0 .32118    .25 .008 .0087
NbB   .16339 .17830 .74020 .849 .0066
TaB   .16339 .17830 .74020 .069 .0066
MnB   .16339 .17830 .74020 .049 .0066
FeB   .16339 .17830 .74020 .009 .0066
TiB   .16339 .17830 .74020 .001 .0066
O1    .09674  .1020  .0604      .0121
O2    .41849  .1154  .0934      .0118
O3    .75638  .1235  .0884      .0095