The structure described by Bi3O4F crystallizes in the monoclinic C2/c space group. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a rectangular see-saw-like geometry to one O(1), two equivalent O(2), and one F(1) atom. In the second Bi site, Bi(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted edge-sharing BiO6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Bi(1) and two equivalent Bi(2) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Bi(2) and two equivalent Bi(1) atoms. F(1) is bonded in a linear geometry to two equivalent Bi(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Bi3O4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.259
_cell_length_b   9.259
_cell_length_c   5.830
_cell_angle_alpha   81.592
_cell_angle_beta   81.592
_cell_angle_gamma   36.452
_symmetry_Int_Tables_number   1
_cell_volume   293.426
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Bi  Bi0  1  0.363  0.948  0.721  1.0
  Bi  Bi1  1  0.707  0.293  0.750  1.0
  Bi  Bi2  1  0.948  0.363  0.221  1.0
  Bi  Bi3  1  0.293  0.707  0.250  1.0
  Bi  Bi4  1  0.052  0.637  0.779  1.0
  Bi  Bi5  1  0.637  0.052  0.279  1.0
  O  O6  1  0.504  0.638  0.898  1.0
  O  O7  1  0.153  0.047  0.444  1.0
  O  O8  1  0.953  0.847  0.056  1.0
  O  O9  1  0.638  0.504  0.398  1.0
  O  O10  1  0.362  0.496  0.602  1.0
  O  O11  1  0.047  0.153  0.944  1.0
  O  O12  1  0.847  0.953  0.556  1.0
  O  O13  1  0.496  0.362  0.102  1.0
  F  F14  1  0.000  0.500  0.500  1.0
  F  F15  1  0.500  0.000  0.000  1.0
[/CIF]
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The structure described by Bi3O4F crystallizes in the monoclinic C2/c space group. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a rectangular see-saw-like geometry to one O(1), two equivalent O(2), and one F(1) atom. In the second Bi site, Bi(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted edge-sharing BiO6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Bi(1) and two equivalent Bi(2) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Bi(2) and two equivalent Bi(1) atoms. F(1) is bonded in a linear geometry to two equivalent Bi(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Bi3O4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.259
_cell_length_b   9.259
_cell_length_c   5.830
_cell_angle_alpha   81.592
_cell_angle_beta   81.592
_cell_angle_gamma   36.452
_symmetry_Int_Tables_number   1
_cell_volume   293.426
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Bi  Bi0  1  0.363  0.948  0.721  1.0
  Bi  Bi1  1  0.707  0.293  0.750  1.0
  Bi  Bi2  1  0.948  0.363  0.221  1.0
  Bi  Bi3  1  0.293  0.707  0.250  1.0
  Bi  Bi4  1  0.052  0.637  0.779  1.0
  Bi  Bi5  1  0.637  0.052  0.279  1.0
  O  O6  1  0.504  0.638  0.898  1.0
  O  O7  1  0.153  0.047  0.444  1.0
  O  O8  1  0.953  0.847  0.056  1.0
  O  O9  1  0.638  0.504  0.398  1.0
  O  O10  1  0.362  0.496  0.602  1.0
  O  O11  1  0.047  0.153  0.944  1.0
  O  O12  1  0.847  0.953  0.556  1.0
  O  O13  1  0.496  0.362  0.102  1.0
  F  F14  1  0.000  0.500  0.500  1.0
  F  F15  1  0.500  0.000  0.000  1.0
[/CIF]
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