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=0.922 from Kragero, Norway
Sample: Annealed at T = 700 C for t = 20 m
Note: Occupancies calculated assuming complete Fe/Mn disorder
_database_code_amcsd 0003865
14.380 5.745 5.088 90 90 90 Pbcn
atom       x      y      z  occ  Uiso
MnA        0 .32071    .25 .741 .0064
FeA        0 .32071    .25 .133 .0064
TiA        0 .32071    .25 .032 .0064
NbA        0 .32071    .25 .023 .0064
TaA        0 .32071    .25 .028 .0064
CaA        0 .32071    .25 .009 .0064
NbB   .16305 .17880 .73984 .876 .0044
TaB   .16305 .17880 .73984 .075 .0044
MnB   .16305 .17880 .73984 .021 .0044
FeB   .16305 .17880 .73984 .004 .0044
O1     .0972  .1005  .0597      .0091
O2     .4181  .1155  .0957      .0094
O3     .7562  .1247  .0897      .0069