data_global
_chemical_name_mineral 'Columbite-(Fe)'
loop_
_publ_author_name
'Tarantino S C'
'Zema M'
_journal_name_full 'American Mineralogist'
_journal_volume 90 
_journal_year 2005
_journal_page_first 1291
_journal_page_last 1300
_publ_section_title
;
 Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution:
 A single-crystal X-ray diffraction study
 Sample: AMB n3 Qm=1 from Ambatofotsikely, Madagascar
;
_database_code_amcsd 0003848
_chemical_formula_sum 'Fe.462 Mn.476 Sc.045 Ti.116 Sn.004 Ca.001 Nb1.806 Ta.086 W.004 O6'
_cell_length_a 14.3267
_cell_length_b 5.7392
_cell_length_c 5.0674
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 416.661
_exptl_crystal_density_diffrn      5.422
_symmetry_space_group_name_H-M 'P b c n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2-x,1/2-y,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
FeA   0.00000   0.32531   0.25000   0.46200   0.00810
MnA   0.00000   0.32531   0.25000   0.47600   0.00810
ScA   0.00000   0.32531   0.25000   0.04500   0.00810
TiA   0.00000   0.32531   0.25000   0.01200   0.00810
SnA   0.00000   0.32531   0.25000   0.00400   0.00810
CaA   0.00000   0.32531   0.25000   0.00100   0.00810
NbB   0.16211   0.17965   0.74368   0.90300   0.00600
TaB   0.16211   0.17965   0.74368   0.04300   0.00600
TiB   0.16211   0.17965   0.74368   0.05200   0.00600
WB   0.16211   0.17965   0.74368   0.00200   0.00600
O1   0.09742   0.10250   0.06410   1.00000   0.00680
O2   0.08143   0.38350   0.59740   1.00000   0.00870
O3   0.24383   0.12390   0.41380   1.00000   0.00690