Manganocolumbite
Tarantino S C, Zema M, Pistorino M, Domeneghetti M C
Physics and Chemistry of Minerals 30 (2003) 590-598
High-temperature X-ray investigation of natural columbites
Note: sample KRA5 at T = 300 C
Locality: Kragero, Norway
_database_code_amcsd 0008840
14.4159 5.7593 5.0905 90 90 90 Pbcn
atom      x     y     z   occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mn2+A     0 .3188   .25  .792 .0158  .0134  .0178  .0160      0  .0012      0
Fe2+A     0 .3188   .25  .138 .0158  .0134  .0178  .0160      0  .0012      0
Ti4+A     0 .3188   .25  .077 .0158  .0134  .0178  .0160      0  .0012      0
Nb5+B .1627 .1792 .7375  .897 .0124  .0116  .0129  .0126  .0006 -.0008 -.0002
Ta5+B .1627 .1792 .7375  .083 .0124  .0116  .0129  .0126  .0006 -.0008 -.0002
Ca2+B .1627 .1792 .7375 .0045 .0124  .0116  .0129  .0126  .0006 -.0008 -.0002
Sn4+B .1627 .1792 .7375 .0015 .0124  .0116  .0129  .0126  .0006 -.0008 -.0002
Sc3+B .1627 .1792 .7375  .001 .0124  .0116  .0129  .0126  .0006 -.0008 -.0002
W6+B  .1627 .1792 .7375 .0005 .0124  .0116  .0129  .0126  .0006 -.0008 -.0002
O1    .0984 .0990 .0555       .0180  .0167  .0189  .0183 -.0007 -.0007  .0013
O2    .0829 .3829 .5967       .0205  .0245  .0203  .0168  .0062      0  .0053
O3    .2449 .1263 .4090       .0173  .0201  .0168  .0151  .0002  .0004  .0053