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: BRA n18 Qm=0.745 from S. Jose de Safira, Minas Gerais, Brazil
 Sample: Annealed at T = 650 C for t = 200 m
 Note: Occupancies calculated assuming complete Fe/Mn disorder
;
_database_code_amcsd 0003854
_chemical_formula_sum '(Fe.264 Mn.07 Nb.633 Ta.033) O2'
_cell_length_a 14.2582
_cell_length_b 5.7290
_cell_length_c 5.0748
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 414.536
_exptl_crystal_density_diffrn      5.548
_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   0.32890   0.25000   0.65700   0.00680
MnA   0.00000   0.32890   0.25000   0.17300   0.00680
NbA   0.00000   0.32890   0.25000   0.16800   0.00680
TaA   0.00000   0.32890   0.25000   0.00200   0.00680
NbB   0.16259   0.17803   0.74783   0.86600   0.00560
FeB   0.16259   0.17803   0.74783   0.06700   0.00560
TaB   0.16259   0.17803   0.74783   0.04900   0.00560
MnB   0.16259   0.17803   0.74783   0.01800   0.00560
O1   0.09542   0.10587   0.07130   1.00000   0.00820
O2   0.41968   0.11675   0.09470   1.00000   0.00900
O3   0.75611   0.12241   0.08220   1.00000   0.00740