data_global
_chemical_name_mineral 'Ferrocolumbite'
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=0.714 from S. Jose de Safira, Minas Gerais, Brazil
 Sample: Annealed at T = 650 C for t = 20 m
 Note: Occupancies calculated assuming complete Fe/Mn disorder
;
_database_code_amcsd 0003832
_chemical_formula_sum '(Fe.263 Nb.633 Mn.07 Ta.034) O2'
_cell_length_a 14.2501
_cell_length_b 5.7263
_cell_length_c 5.0767
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 414.260
_exptl_crystal_density_diffrn      5.554
_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   0.32898   0.25000   0.64000   0.00690
NbA   0.00000   0.32898   0.25000   0.18800   0.00690
MnA   0.00000   0.32898   0.25000   0.16900   0.00690
TaA   0.00000   0.32898   0.25000   0.00300   0.00690
NbB   0.16274   0.17765   0.74783   0.85600   0.00570
FeB   0.16274   0.17765   0.74783   0.07500   0.00570
TaB   0.16274   0.17765   0.74783   0.04900   0.00570
MnB   0.16274   0.17765   0.74783   0.02000   0.00570
O1   0.09526   0.10613   0.07140   1.00000   0.00850
O2   0.41987   0.11665   0.09420   1.00000   0.00930
O3   0.75626   0.12201   0.08220   1.00000   0.00780