The structure described by Pb2OIF crystallizes in the orthorhombic Cmme space group. Pb(1) is bonded in a 4-coordinate geometry to two equivalent O(1), one I(1), and two equivalent F(1) atoms. O(1) is bonded to four equivalent Pb(1) atoms to form OPb4 tetrahedra that share corners with four equivalent F(1)Pb4 tetrahedra, edges with two equivalent O(1)Pb4 tetrahedra, and edges with two equivalent F(1)Pb4 tetrahedra. I(1) is bonded in a 2-coordinate geometry to two equivalent Pb(1) atoms. F(1) is bonded to four equivalent Pb(1) atoms to form FPb4 tetrahedra that share corners with four equivalent O(1)Pb4 tetrahedra, edges with two equivalent O(1)Pb4 tetrahedra, and edges with two equivalent F(1)Pb4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pb2IOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.513
_cell_length_b   7.513
_cell_length_c   6.029
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   132.884
_symmetry_Int_Tables_number   1
_cell_volume   249.342
_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
  Pb  Pb0  1  0.407  0.593  0.219  1.0
  Pb  Pb1  1  0.593  0.407  0.781  1.0
  Pb  Pb2  1  0.093  0.907  0.219  1.0
  Pb  Pb3  1  0.907  0.093  0.781  1.0
  I  I4  1  0.750  0.250  0.241  1.0
  I  I5  1  0.250  0.750  0.759  1.0
  O  O6  1  0.250  0.250  0.000  1.0
  O  O7  1  0.750  0.750  0.000  1.0
  F  F8  1  0.250  0.250  0.500  1.0
  F  F9  1  0.750  0.750  0.500  1.0
[/CIF]
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The structure described by Pb2OIF crystallizes in the orthorhombic Cmme space group. Pb(1) is bonded in a 4-coordinate geometry to two equivalent O(1), one I(1), and two equivalent F(1) atoms. O(1) is bonded to four equivalent Pb(1) atoms to form OPb4 tetrahedra that share corners with four equivalent F(1)Pb4 tetrahedra, edges with two equivalent O(1)Pb4 tetrahedra, and edges with two equivalent F(1)Pb4 tetrahedra. I(1) is bonded in a 2-coordinate geometry to two equivalent Pb(1) atoms. F(1) is bonded to four equivalent Pb(1) atoms to form FPb4 tetrahedra that share corners with four equivalent O(1)Pb4 tetrahedra, edges with two equivalent O(1)Pb4 tetrahedra, and edges with two equivalent F(1)Pb4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pb2IOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.513
_cell_length_b   7.513
_cell_length_c   6.029
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   132.884
_symmetry_Int_Tables_number   1
_cell_volume   249.342
_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
  Pb  Pb0  1  0.407  0.593  0.219  1.0
  Pb  Pb1  1  0.593  0.407  0.781  1.0
  Pb  Pb2  1  0.093  0.907  0.219  1.0
  Pb  Pb3  1  0.907  0.093  0.781  1.0
  I  I4  1  0.750  0.250  0.241  1.0
  I  I5  1  0.250  0.750  0.759  1.0
  O  O6  1  0.250  0.250  0.000  1.0
  O  O7  1  0.750  0.750  0.000  1.0
  F  F8  1  0.250  0.250  0.500  1.0
  F  F9  1  0.750  0.750  0.500  1.0
[/CIF]
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