The material structure described by BiOF crystallizes in the orthorhombic Fddd space group. Bi(1) is bonded to four equivalent O(1) and two equivalent F(1) atoms to form a mixture of distorted edge and corner-sharing BiO4F2 pentagonal pyramids. O(1) is bonded to four equivalent Bi(1) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. F(1) is bonded in a linear geometry to two equivalent Bi(1) atoms. is represented by the CIF file [CIF]
data_BiOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.264
_cell_length_b   6.872
_cell_length_c   6.043
_cell_angle_alpha   68.104
_cell_angle_beta   61.375
_cell_angle_gamma   50.521
_symmetry_Int_Tables_number   1
_cell_volume   203.358
_cell_formula_units_Z   4
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  0.298  0.702  0.298  1.0
  Bi  Bi1  1  0.548  0.952  0.548  1.0
  Bi  Bi2  1  0.702  0.298  0.702  1.0
  Bi  Bi3  1  0.952  0.548  0.952  1.0
  O  O4  1  0.632  0.632  0.368  1.0
  O  O5  1  0.368  0.368  0.632  1.0
  O  O6  1  0.882  0.882  0.618  1.0
  O  O7  1  0.618  0.618  0.882  1.0
  F  F8  1  0.125  0.125  0.125  1.0
  F  F9  1  0.125  0.125  0.625  1.0
  F  F10  1  0.625  0.125  0.125  1.0
  F  F11  1  0.125  0.625  0.125  1.0
[/CIF]
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The material structure described by BiOF crystallizes in the orthorhombic Fddd space group. Bi(1) is bonded to four equivalent O(1) and two equivalent F(1) atoms to form a mixture of distorted edge and corner-sharing BiO4F2 pentagonal pyramids. O(1) is bonded to four equivalent Bi(1) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. F(1) is bonded in a linear geometry to two equivalent Bi(1) atoms. is represented by the CIF file [CIF]
data_BiOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.264
_cell_length_b   6.872
_cell_length_c   6.043
_cell_angle_alpha   68.104
_cell_angle_beta   61.375
_cell_angle_gamma   50.521
_symmetry_Int_Tables_number   1
_cell_volume   203.358
_cell_formula_units_Z   4
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  0.298  0.702  0.298  1.0
  Bi  Bi1  1  0.548  0.952  0.548  1.0
  Bi  Bi2  1  0.702  0.298  0.702  1.0
  Bi  Bi3  1  0.952  0.548  0.952  1.0
  O  O4  1  0.632  0.632  0.368  1.0
  O  O5  1  0.368  0.368  0.632  1.0
  O  O6  1  0.882  0.882  0.618  1.0
  O  O7  1  0.618  0.618  0.882  1.0
  F  F8  1  0.125  0.125  0.125  1.0
  F  F9  1  0.125  0.125  0.625  1.0
  F  F10  1  0.625  0.125  0.125  1.0
  F  F11  1  0.125  0.625  0.125  1.0
[/CIF]
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