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=0.565 from Kragero, Norway
Note: Occupancies calculated assuming complete Fe/Mn disorder
_database_code_amcsd 0003860
14.325 5.744 5.113 90 90 90 Pbcn
atom       x      y      z  occ  Uiso
MnA        0 .32419    .25 .555 .0111
NbA        0 .32419    .25 .235 .0111
FeA        0 .32419    .25 .099 .0111
TaA        0 .32419    .25 .046 .0111
TiA        0 .32419    .25 .024 .0111
CaA        0 .32419    .25 .009 .0111
NbB   .16390 .17599 .74219 .770 .0073
MnB   .16390 .17599 .74219 .117 .0073
TaB   .16390 .17599 .74219 .066 .0073
FeB   .16390 .17599 .74219 .021 .0073
TiB   .16390 .17599 .74219 .002 .0073
O1     .0958  .1035  .0645      .0132
O2     .4198  .1159  .0925      .0125
O3     .7569  .1224  .0880      .0099