Columbite-(Mn)
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 = 20 C
Locality: Kragero, Norway
_database_code_amcsd 0008845
14.3860 5.7478 5.0797 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 .3197   .25  .792 .0069  .0063  .0082  .0061      0  .0003      0
Fe2+A     0 .3197   .25  .138 .0069  .0063  .0082  .0061      0  .0003      0
Ti4+A     0 .3197   .25  .077 .0069  .0063  .0082  .0061      0  .0003      0
Nb5+B .1626 .1796 .7391  .897 .0072  .0082  .0062  .0071  .0002  .0005 -.0001
Ta5+B .1626 .1796 .7391  .083 .0072  .0082  .0062  .0071  .0002  .0005 -.0001
Ca2+B .1626 .1796 .7391 .0045 .0072  .0082  .0062  .0071  .0002  .0005 -.0001
Sn4+B .1626 .1796 .7391 .0015 .0072  .0082  .0062  .0071  .0002  .0005 -.0001
Sc3+B .1626 .1796 .7391  .001 .0072  .0082  .0062  .0071  .0002  .0005 -.0001
W6+B  .1626 .1796 .7391 .0005 .0072  .0082  .0062  .0071  .0002  .0005 -.0001
O1    .0984 .0985 .0576       .0088  .0104  .0073  .0088  .0011  .0015  .0019
O2    .0827 .3836 .5969       .0101  .0111  .0089  .0103  .0014  .0011 -.0004
O3    .2437 .1259 .4100       .0080  .0092  .0059  .0091 -.0003  .0016 -.0014