The material described by BiOF crystallizes in the monoclinic P2_1/m space group. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted body-centered cubic geometry to one O(2), one O(3), one F(3), two equivalent F(2), and three equivalent F(1) atoms. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to one O(4), three equivalent O(1), one F(2), one F(4), and two equivalent F(3) atoms. In the third Bi site, Bi(3) is bonded in a 7-coordinate geometry to one O(4), two equivalent O(3), one F(2), and three equivalent F(4) atoms. In the fourth Bi site, Bi(4) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(4), three equivalent O(2), and one F(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to three equivalent Bi(2) atoms. In the second O site, O(2) is bonded to one Bi(1) and three equivalent Bi(4) atoms to form OBi4 tetrahedra that share corners with two equivalent O(2)Bi4 tetrahedra, corners with two equivalent F(2)Bi4 tetrahedra, corners with two equivalent F(3)Bi4 tetrahedra, corners with four equivalent O(3)Bi4 tetrahedra,  an edgeedge with one F(3)Bi4 tetrahedra, and edges with two equivalent O(2)Bi4 tetrahedra. In the third O site, O(3) is bonded to one Bi(1), one Bi(4), and two equivalent Bi(3) atoms to form OBi4 tetrahedra that share corners with two equivalent O(3)Bi4 tetrahedra, corners with two equivalent F(3)Bi4 tetrahedra, corners with four equivalent O(2)Bi4 tetrahedra, corners with four equivalent F(4)Bi4 tetrahedra,  an edgeedge with one F(4)Bi4 tetrahedra, and edges with two equivalent F(2)Bi4 tetrahedra. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Bi(2), one Bi(3), and two equivalent Bi(4) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Bi(1) atoms. In the second F site, F(2) is bonded to one Bi(2), one Bi(3), and two equivalent Bi(1) atoms to form distorted FBi4 tetrahedra that share corners with two equivalent O(2)Bi4 tetrahedra, corners with two equivalent F(2)Bi4 tetrahedra, corners with four equivalent F(4)Bi4 tetrahedra, edges with two equivalent O(3)Bi4 tetrahedra, and edges with two equivalent F(3)Bi4 tetrahedra. In the third F site, F(3) is bonded to one Bi(1), one Bi(4), and two equivalent Bi(2) atoms to form distorted FBi4 tetrahedra that share corners with two equivalent O(2)Bi4 tetrahedra, corners with two equivalent O(3)Bi4 tetrahedra, corners with two equivalent F(3)Bi4 tetrahedra, corners with two equivalent F(4)Bi4 tetrahedra,  an edgeedge with one O(2)Bi4 tetrahedra, and edges with two equivalent F(2)Bi4 tetrahedra. In the fourth F site, F(4) is bonded to one Bi(2) and three equivalent Bi(3) atoms to form distorted FBi4 tetrahedra that share corners with two equivalent F(3)Bi4 tetrahedra, corners with two equivalent F(4)Bi4 tetrahedra, corners with four equivalent O(3)Bi4 tetrahedra, corners with four equivalent F(2)Bi4 tetrahedra,  an edgeedge with one O(3)Bi4 tetrahedra, and edges with two equivalent F(4)Bi4 tetrahedra. is represented by the CIF file [CIF]
data_BiOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.949
_cell_length_b   8.347
_cell_length_c   12.425
_cell_angle_alpha   70.867
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   386.909
_cell_formula_units_Z   8
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  0.750  0.913  0.878  1.0
  Bi  Bi1  1  0.250  0.828  0.594  1.0
  Bi  Bi2  1  0.750  0.679  0.337  1.0
  Bi  Bi3  1  0.750  0.447  0.875  1.0
  Bi  Bi4  1  0.250  0.553  0.125  1.0
  Bi  Bi5  1  0.250  0.321  0.663  1.0
  Bi  Bi6  1  0.750  0.172  0.406  1.0
  Bi  Bi7  1  0.250  0.087  0.122  1.0
  O  O8  1  0.750  0.887  0.496  1.0
  O  O9  1  0.750  0.648  0.989  1.0
  O  O10  1  0.250  0.751  0.237  1.0
  O  O11  1  0.250  0.501  0.756  1.0
  O  O12  1  0.750  0.499  0.244  1.0
  O  O13  1  0.750  0.249  0.763  1.0
  O  O14  1  0.250  0.352  0.011  1.0
  O  O15  1  0.250  0.113  0.504  1.0
  F  F16  1  0.250  0.901  0.988  1.0
  F  F17  1  0.250  0.986  0.756  1.0
  F  F18  1  0.750  0.758  0.753  1.0
  F  F19  1  0.250  0.625  0.500  1.0
  F  F20  1  0.750  0.375  0.500  1.0
  F  F21  1  0.250  0.242  0.247  1.0
  F  F22  1  0.750  0.014  0.244  1.0
  F  F23  1  0.750  0.099  0.012  1.0
[/CIF]
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The material described by BiOF crystallizes in the monoclinic P2_1/m space group. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted body-centered cubic geometry to one O(2), one O(3), one F(3), two equivalent F(2), and three equivalent F(1) atoms. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to one O(4), three equivalent O(1), one F(2), one F(4), and two equivalent F(3) atoms. In the third Bi site, Bi(3) is bonded in a 7-coordinate geometry to one O(4), two equivalent O(3), one F(2), and three equivalent F(4) atoms. In the fourth Bi site, Bi(4) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(4), three equivalent O(2), and one F(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to three equivalent Bi(2) atoms. In the second O site, O(2) is bonded to one Bi(1) and three equivalent Bi(4) atoms to form OBi4 tetrahedra that share corners with two equivalent O(2)Bi4 tetrahedra, corners with two equivalent F(2)Bi4 tetrahedra, corners with two equivalent F(3)Bi4 tetrahedra, corners with four equivalent O(3)Bi4 tetrahedra,  an edgeedge with one F(3)Bi4 tetrahedra, and edges with two equivalent O(2)Bi4 tetrahedra. In the third O site, O(3) is bonded to one Bi(1), one Bi(4), and two equivalent Bi(3) atoms to form OBi4 tetrahedra that share corners with two equivalent O(3)Bi4 tetrahedra, corners with two equivalent F(3)Bi4 tetrahedra, corners with four equivalent O(2)Bi4 tetrahedra, corners with four equivalent F(4)Bi4 tetrahedra,  an edgeedge with one F(4)Bi4 tetrahedra, and edges with two equivalent F(2)Bi4 tetrahedra. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Bi(2), one Bi(3), and two equivalent Bi(4) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Bi(1) atoms. In the second F site, F(2) is bonded to one Bi(2), one Bi(3), and two equivalent Bi(1) atoms to form distorted FBi4 tetrahedra that share corners with two equivalent O(2)Bi4 tetrahedra, corners with two equivalent F(2)Bi4 tetrahedra, corners with four equivalent F(4)Bi4 tetrahedra, edges with two equivalent O(3)Bi4 tetrahedra, and edges with two equivalent F(3)Bi4 tetrahedra. In the third F site, F(3) is bonded to one Bi(1), one Bi(4), and two equivalent Bi(2) atoms to form distorted FBi4 tetrahedra that share corners with two equivalent O(2)Bi4 tetrahedra, corners with two equivalent O(3)Bi4 tetrahedra, corners with two equivalent F(3)Bi4 tetrahedra, corners with two equivalent F(4)Bi4 tetrahedra,  an edgeedge with one O(2)Bi4 tetrahedra, and edges with two equivalent F(2)Bi4 tetrahedra. In the fourth F site, F(4) is bonded to one Bi(2) and three equivalent Bi(3) atoms to form distorted FBi4 tetrahedra that share corners with two equivalent F(3)Bi4 tetrahedra, corners with two equivalent F(4)Bi4 tetrahedra, corners with four equivalent O(3)Bi4 tetrahedra, corners with four equivalent F(2)Bi4 tetrahedra,  an edgeedge with one O(3)Bi4 tetrahedra, and edges with two equivalent F(4)Bi4 tetrahedra. is represented by the CIF file [CIF]
data_BiOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.949
_cell_length_b   8.347
_cell_length_c   12.425
_cell_angle_alpha   70.867
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   386.909
_cell_formula_units_Z   8
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  0.750  0.913  0.878  1.0
  Bi  Bi1  1  0.250  0.828  0.594  1.0
  Bi  Bi2  1  0.750  0.679  0.337  1.0
  Bi  Bi3  1  0.750  0.447  0.875  1.0
  Bi  Bi4  1  0.250  0.553  0.125  1.0
  Bi  Bi5  1  0.250  0.321  0.663  1.0
  Bi  Bi6  1  0.750  0.172  0.406  1.0
  Bi  Bi7  1  0.250  0.087  0.122  1.0
  O  O8  1  0.750  0.887  0.496  1.0
  O  O9  1  0.750  0.648  0.989  1.0
  O  O10  1  0.250  0.751  0.237  1.0
  O  O11  1  0.250  0.501  0.756  1.0
  O  O12  1  0.750  0.499  0.244  1.0
  O  O13  1  0.750  0.249  0.763  1.0
  O  O14  1  0.250  0.352  0.011  1.0
  O  O15  1  0.250  0.113  0.504  1.0
  F  F16  1  0.250  0.901  0.988  1.0
  F  F17  1  0.250  0.986  0.756  1.0
  F  F18  1  0.750  0.758  0.753  1.0
  F  F19  1  0.250  0.625  0.500  1.0
  F  F20  1  0.750  0.375  0.500  1.0
  F  F21  1  0.250  0.242  0.247  1.0
  F  F22  1  0.750  0.014  0.244  1.0
  F  F23  1  0.750  0.099  0.012  1.0
[/CIF]
.