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 n3 Qm=1 from S. Jose de Safira, Minas Gerais, Brazil
;
_database_code_amcsd 0003847
_chemical_formula_sum 'Fe.202 Mn.767 Ti.036 Sc.001 Ca.001 Sn.001 Nb1.91 Ta.08 W.002 O6'
_cell_length_a 14.2877
_cell_length_b 5.7363
_cell_length_c 5.0561
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 414.391
_exptl_crystal_density_diffrn      5.508
_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   0.32935   0.25000   0.20200   0.00660
MnA   0.00000   0.32935   0.25000   0.76700   0.00660
TiA   0.00000   0.32935   0.25000   0.02800   0.00660
ScA   0.00000   0.32935   0.25000   0.00100   0.00660
CaA   0.00000   0.32935   0.25000   0.00100   0.00660
SnA   0.00000   0.32935   0.25000   0.00100   0.00660
NbB   0.16151   0.18026   0.74792   0.95500   0.00470
TaB   0.16151   0.18026   0.74792   0.04000   0.00470
TiB   0.16151   0.18026   0.74792   0.00400   0.00470
WB   0.16151   0.18026   0.74792   0.00100   0.00470
O1   0.09697   0.10323   0.06932   1.00000   0.00690
O2   0.08150   0.38359   0.59769   1.00000   0.00800
O3   0.24388   0.12397   0.41844   1.00000   0.00610