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=0.988 from S. Jose de Safira, Minas Gerais, Brazil
 Sample: Annealed at T = 950 C for t = 3 h
 Note: Occupancies calculated assuming complete Fe/Mn disorder
;
_database_code_amcsd 0003859
_chemical_formula_sum 'Fe.791 Mn.209 Nb1.898 Ta.102 O6'
_cell_length_a 14.2852
_cell_length_b 5.7361
_cell_length_c 5.0574
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 414.410
_exptl_crystal_density_diffrn      5.553
_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   0.32904   0.25000   0.78500   0.00590
MnA   0.00000   0.32904   0.25000   0.20700   0.00590
NbA   0.00000   0.32904   0.25000   0.00800   0.00590
NbB   0.16155   0.18024   0.74786   0.94500   0.00410
TaB   0.16155   0.18024   0.74786   0.05100   0.00410
FeB   0.16155   0.18024   0.74786   0.00300   0.00410
MnB   0.16155   0.18024   0.74786   0.00100   0.00410
O1   0.09692   0.10376   0.06920   1.00000   0.00590
O2   0.41864   0.11713   0.09770   1.00000   0.00770
O3   0.75587   0.12388   0.08140   1.00000   0.00610