The material described by Bi2OF4 is Zircon-like structured and crystallizes in the monoclinic C2/c space group. Bi(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent F(1), and three equivalent F(2) atoms. O(1) is bonded to four equivalent Bi(1) atoms to form edge-sharing OBi4 tetrahedra. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to three equivalent Bi(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Bi(1) atoms. is represented by the CIF card [CIF]
data_Bi2OF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.066
_cell_length_b   7.066
_cell_length_c   5.626
_cell_angle_alpha   76.924
_cell_angle_beta   76.924
_cell_angle_gamma   47.861
_symmetry_Int_Tables_number   1
_cell_volume   201.779
_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  0.112  0.677  0.589  1.0
  Bi  Bi1  1  0.677  0.112  0.089  1.0
  Bi  Bi2  1  0.323  0.888  0.911  1.0
  Bi  Bi3  1  0.888  0.323  0.411  1.0
  O  O4  1  0.968  0.032  0.750  1.0
  O  O5  1  0.032  0.968  0.250  1.0
  F  F6  1  0.294  0.553  0.961  1.0
  F  F7  1  0.553  0.294  0.461  1.0
  F  F8  1  0.734  0.836  0.843  1.0
  F  F9  1  0.836  0.734  0.343  1.0
  F  F10  1  0.164  0.266  0.657  1.0
  F  F11  1  0.266  0.164  0.157  1.0
  F  F12  1  0.447  0.706  0.539  1.0
  F  F13  1  0.706  0.447  0.039  1.0
[/CIF]
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The material described by Bi2OF4 is Zircon-like structured and crystallizes in the monoclinic C2/c space group. Bi(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent F(1), and three equivalent F(2) atoms. O(1) is bonded to four equivalent Bi(1) atoms to form edge-sharing OBi4 tetrahedra. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to three equivalent Bi(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Bi(1) atoms. is represented by the CIF card [CIF]
data_Bi2OF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.066
_cell_length_b   7.066
_cell_length_c   5.626
_cell_angle_alpha   76.924
_cell_angle_beta   76.924
_cell_angle_gamma   47.861
_symmetry_Int_Tables_number   1
_cell_volume   201.779
_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  0.112  0.677  0.589  1.0
  Bi  Bi1  1  0.677  0.112  0.089  1.0
  Bi  Bi2  1  0.323  0.888  0.911  1.0
  Bi  Bi3  1  0.888  0.323  0.411  1.0
  O  O4  1  0.968  0.032  0.750  1.0
  O  O5  1  0.032  0.968  0.250  1.0
  F  F6  1  0.294  0.553  0.961  1.0
  F  F7  1  0.553  0.294  0.461  1.0
  F  F8  1  0.734  0.836  0.843  1.0
  F  F9  1  0.836  0.734  0.343  1.0
  F  F10  1  0.164  0.266  0.657  1.0
  F  F11  1  0.266  0.164  0.157  1.0
  F  F12  1  0.447  0.706  0.539  1.0
  F  F13  1  0.706  0.447  0.039  1.0
[/CIF]
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