The material described by Sb3O4F crystallizes in the monoclinic C2/c space group. There are two inequivalent Sb sites. In the first Sb site, Sb(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 Sb site, Sb(2) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Sb(1) and two equivalent Sb(2) atoms. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent Sb(1) atoms. F(1) is bonded in a linear geometry to two equivalent Sb(1) atoms. is represented by the CIF file [CIF]
data_Sb3O4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.333
_cell_length_b   9.333
_cell_length_c   5.675
_cell_angle_alpha   78.079
_cell_angle_beta   78.079
_cell_angle_gamma   33.856
_symmetry_Int_Tables_number   1
_cell_volume   268.901
_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
  Sb  Sb0  1  0.044  0.637  0.286  1.0
  Sb  Sb1  1  0.687  0.313  0.250  1.0
  Sb  Sb2  1  0.637  0.044  0.786  1.0
  Sb  Sb3  1  0.313  0.687  0.750  1.0
  Sb  Sb4  1  0.363  0.956  0.214  1.0
  Sb  Sb5  1  0.956  0.363  0.714  1.0
  O  O6  1  0.350  0.519  0.130  1.0
  O  O7  1  0.942  0.834  0.551  1.0
  O  O8  1  0.166  0.058  0.949  1.0
  O  O9  1  0.519  0.350  0.630  1.0
  O  O10  1  0.481  0.650  0.370  1.0
  O  O11  1  0.834  0.942  0.051  1.0
  O  O12  1  0.058  0.166  0.449  1.0
  O  O13  1  0.650  0.481  0.870  1.0
  F  F14  1  0.500  0.000  0.500  1.0
  F  F15  1  0.000  0.500  0.000  1.0
[/CIF]
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The material described by Sb3O4F crystallizes in the monoclinic C2/c space group. There are two inequivalent Sb sites. In the first Sb site, Sb(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 Sb site, Sb(2) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Sb(1) and two equivalent Sb(2) atoms. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent Sb(1) atoms. F(1) is bonded in a linear geometry to two equivalent Sb(1) atoms. is represented by the CIF file [CIF]
data_Sb3O4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.333
_cell_length_b   9.333
_cell_length_c   5.675
_cell_angle_alpha   78.079
_cell_angle_beta   78.079
_cell_angle_gamma   33.856
_symmetry_Int_Tables_number   1
_cell_volume   268.901
_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
  Sb  Sb0  1  0.044  0.637  0.286  1.0
  Sb  Sb1  1  0.687  0.313  0.250  1.0
  Sb  Sb2  1  0.637  0.044  0.786  1.0
  Sb  Sb3  1  0.313  0.687  0.750  1.0
  Sb  Sb4  1  0.363  0.956  0.214  1.0
  Sb  Sb5  1  0.956  0.363  0.714  1.0
  O  O6  1  0.350  0.519  0.130  1.0
  O  O7  1  0.942  0.834  0.551  1.0
  O  O8  1  0.166  0.058  0.949  1.0
  O  O9  1  0.519  0.350  0.630  1.0
  O  O10  1  0.481  0.650  0.370  1.0
  O  O11  1  0.834  0.942  0.051  1.0
  O  O12  1  0.058  0.166  0.449  1.0
  O  O13  1  0.650  0.481  0.870  1.0
  F  F14  1  0.500  0.000  0.500  1.0
  F  F15  1  0.000  0.500  0.000  1.0
[/CIF]
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