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 = 600 C
Sample: Kragero, Norway
_database_code_amcsd 0008847
14.4508 5.7741 5.1025 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 .3171   .25  .792 .0235  .0210  .0260  .0236      0  .0011      0
Fe2+A     0 .3171   .25  .138 .0235  .0210  .0260  .0236      0  .0011      0
Ti4+A     0 .3171   .25  .077 .0235  .0210  .0260  .0236      0  .0011      0
Nb5+B .1628 .1794 .7363  .897 .0176  .0172  .0180  .0177  .0001 -.0008 -.0003
Ta5+B .1628 .1794 .7363  .083 .0176  .0172  .0180  .0177  .0001 -.0008 -.0003
Ca2+B .1628 .1794 .7363 .0045 .0176  .0172  .0180  .0177  .0001 -.0008 -.0003
Sn4+B .1628 .1794 .7363 .0015 .0176  .0172  .0180  .0177  .0001 -.0008 -.0003
Sc3+B .1628 .1794 .7363  .001 .0176  .0172  .0180  .0177  .0001 -.0008 -.0003
W6+B  .1628 .1794 .7363 .0005 .0176  .0172  .0180  .0177  .0001 -.0008 -.0003
O1    .0981 .0994 .0536       .0242  .0263  .0211  .0253  .0006  .0030  .0029
O2    .0829 .3838 .5969       .0271  .0351  .0198  .0264  .0043 -.0033 -.0028
O3    .2446 .1252 .4077       .0252  .0273  .0249  .0233 -.0019  .0016 -.0016