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=0.674 from Kragero, Norway
Sample: Annealed at T = 500 C for t = 15 h
Note: Occupancies calculated assuming complete Fe/Mn disorder
_database_code_amcsd 0003861
14.344 5.739 5.105 90 90 90 Pbcn
atom       x      y      z  occ  Uiso
MnA        0 .32241    .25 .612 .0097
FeA        0 .32241    .25 .110 .0097
NbA        0 .32241    .25 .167 .0097
TaA        0 .32241    .25 .042 .0097
TiA        0 .32241    .25 .026 .0097
CaA        0 .32241    .25 .008 .0097
NbB   .16371 .17733 .74098 .804 .0076
MnB   .16371 .17733 .74098 .087 .0076
TaB   .16371 .17733 .74098 .068 .0076
FeB   .16371 .17733 .74098 .016 .0076
TiB   .16371 .17733 .74098 .002 .0076
O1     .0959  .1041  .0632      .0140
O2     .4188  .1163  .0927      .0124
O3     .7563  .1234  .0888      .0110