data_1004120
_chemical_name_systematic
;
Bismuth vanadium iron oxide (4/1.5/0.5/10.5)
;
_chemical_formula_structural       'Bi4 (V1.5 Fe0.5 O10.5)'
_chemical_formula_sum              'Bi4 Fe.5 O10.5 V1.5'
_publ_section_title
;
Solid phase synthesis and characterization of new BIMEVOX series: Bi4
V2-x Mx O11-x (M = Cr(III), Fe(III))
;
loop_
_publ_author_name
  'Joubert, O'
  'Ganne, M'
  'Vannier, R N'
  'Mairesse, G'
_journal_name_full                 'Solid State Ionics'
_journal_coden_ASTM                SSIOD3
_journal_volume                    83
_journal_year                      1996
_journal_page_first                199
_journal_page_last                 207
_cell_length_a                     3.9214(1)
_cell_length_b                     3.9214(1)
_cell_length_c                     15.5709(3)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       239.4
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'I 4/m m m'
_symmetry_Int_Tables_number        139
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '-x,y,z'
  'x,-y,z'
  '-y,x,z'
  'y,-x,z'
  'y,x,z'
  '-y,-x,z'
  '-x,-y,-z'
  'x,y,-z'
  'x,-y,-z'
  '-x,y,-z'
  'y,-x,-z'
  '-y,x,-z'
  '-y,-x,-z'
  'y,x,-z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-y,1/2+x,1/2+z'
  '1/2+y,1/2-x,1/2+z'
  '1/2+y,1/2+x,1/2+z'
  '1/2-y,1/2-x,1/2+z'
  '1/2-x,1/2-y,1/2-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2+x,1/2-y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '1/2+y,1/2-x,1/2-z'
  '1/2-y,1/2+x,1/2-z'
  '1/2-y,1/2-x,1/2-z'
  '1/2+y,1/2+x,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Bi3+   3.000
  V5+    5.000
  Fe3+   3.000
  O2-   -2.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Bi1   Bi3+   4 e 0. 0. 0.3311(1) 1.  0 d
  V1    V5+    8 i 0.094(2) 0. 0. 0.1875  0 d
  Fe1   Fe3+   8 i 0.094(2) 0. 0. 0.0625  0 d
  O1    O2-    4 d 0. 0.5 0.25 1.  0 d
  O2    O2-   16 n 0. 0.564(7) 0.532(2) 0.1875  0 d
  O3    O2-   16 n 0. 0.147(4) 0.099(1) 0.2188  0 d
_refine_ls_R_factor_all            0.072