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=0.960 from Kragero, Norway
Sample: Annealed at T = 800 C for t = 15 m
Note: Occupancies calculated assuming complete Fe/Mn disorder
_database_code_amcsd 0003866
14.380 5.750 5.084 90 90 90 Pbcn
atom       x      y      z  occ  Uiso
MnA        0 .32024    .25 .761 .0063
FeA        0 .32024    .25 .136 .0063
TiA        0 .32024    .25 .033 .0063
TaA        0 .32024    .25 .023 .0063
CaA        0 .32024    .25 .009 .0063
NbA        0 .32024    .25 .004 .0063
NbB  .162783 .17929 .73941 .885 .0041
TaB  .162783 .17929 .73941 .078 .0041
MnB  .162783 .17929 .73941 .011 .0041
FeB  .162783 .17929 .73941 .002 .0041
O1    .09794  .0999  .0582      .0080
O2    .41751  .1158  .0961      .0087
O3    .75611  .1255  .0901      .0062