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=0.844 from Kragero, Norway
Sample: Annealed at T = 600 C for t = 177 h
Note: Occupancies calculated assuming complete Fe/Mn disorder
_database_code_amcsd 0003864
14.352 5.740 5.090 90 90 90 Pbcn
atom       x      y      z  occ  Uiso
MnA        0 .32096    .25 .701 .0091
FeA        0 .32096    .25 .126 .0091
NbA        0 .32096    .25 .061 .0091
TaA        0 .32096    .25 .039 .0091
TiA        0 .32096    .25 .030 .0091
CaA        0 .32096    .25 .009 .0091
NbB   .16331 .17850 .74029 .857 .0069
TaB   .16331 .17850 .74029 .069 .0069
MnB   .16331 .17850 .74029 .042 .0069
FeB   .16331 .17850 .74029 .007 .0069
TiB   .16331 .17850 .74029 .001 .0069
O1     .0970  .1019  .0603      .0127
O2     .4187  .1151  .0942      .0120
O3     .7564  .1239  .0890      .0098