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=1 from Kragero, Norway
Sample: Annealed at T = 800 C for t = 24 h
Note: Occupancies calculated assuming complete Fe/Mn disorder
_database_code_amcsd 0003867
14.395 5.753 5.083 90 90 90 Pbcn
atom       x      y      z  occ  Uiso
MnA        0 .31996    .25 .782 .0049
FeA        0 .31996    .25 .140 .0049
TiA        0 .31996    .25 .034 .0049
CaA        0 .31996    .25 .010 .0049
NbB  .162594 .17958 .73910 .889 .0041
TaB  .162594 .17958 .73910 .089 .0041
O1    .09828  .0992  .0575      .0072
O2    .41726  .1154  .0964      .0082
O3    .75608  .1253  .0896      .0058