The material structure described by Pb2OF2 is Spinel-like structured and crystallizes in the tetragonal P4_2/nmc space group. Pb(1) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form a mixture of distorted corner and edge-sharing PbO2F4 pentagonal pyramids. O(1) is bonded to four equivalent Pb(1) atoms to form OPb4 tetrahedra that share corners with eight equivalent F(1)Pb4 trigonal pyramids, edges with two equivalent O(1)Pb4 tetrahedra, and edges with four equivalent F(1)Pb4 trigonal pyramids. F(1) is bonded to four equivalent Pb(1) atoms to form distorted FPb4 trigonal pyramids that share corners with four equivalent O(1)Pb4 tetrahedra, corners with eight equivalent F(1)Pb4 trigonal pyramids, edges with two equivalent O(1)Pb4 tetrahedra, and edges with two equivalent F(1)Pb4 trigonal pyramids. is represented by the CIF card [CIF]
data_Pb2OF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.732
_cell_length_b   8.202
_cell_length_c   8.202
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   385.641
_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
  Pb  Pb0  1  0.444  0.974  0.750  1.0
  Pb  Pb1  1  0.444  0.526  0.750  1.0
  Pb  Pb2  1  0.944  0.750  0.526  1.0
  Pb  Pb3  1  0.944  0.750  0.974  1.0
  Pb  Pb4  1  0.056  0.250  0.474  1.0
  Pb  Pb5  1  0.556  0.026  0.250  1.0
  Pb  Pb6  1  0.556  0.474  0.250  1.0
  Pb  Pb7  1  0.056  0.250  0.026  1.0
  O  O8  1  0.166  0.750  0.750  1.0
  O  O9  1  0.666  0.750  0.750  1.0
  O  O10  1  0.834  0.250  0.250  1.0
  O  O11  1  0.334  0.250  0.250  1.0
  F  F12  1  0.750  0.462  0.538  1.0
  F  F13  1  0.250  0.962  0.462  1.0
  F  F14  1  0.250  0.538  0.038  1.0
  F  F15  1  0.750  0.038  0.962  1.0
  F  F16  1  0.250  0.962  0.038  1.0
  F  F17  1  0.750  0.462  0.962  1.0
  F  F18  1  0.750  0.038  0.538  1.0
  F  F19  1  0.250  0.538  0.462  1.0
[/CIF]
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The material structure described by Pb2OF2 is Spinel-like structured and crystallizes in the tetragonal P4_2/nmc space group. Pb(1) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form a mixture of distorted corner and edge-sharing PbO2F4 pentagonal pyramids. O(1) is bonded to four equivalent Pb(1) atoms to form OPb4 tetrahedra that share corners with eight equivalent F(1)Pb4 trigonal pyramids, edges with two equivalent O(1)Pb4 tetrahedra, and edges with four equivalent F(1)Pb4 trigonal pyramids. F(1) is bonded to four equivalent Pb(1) atoms to form distorted FPb4 trigonal pyramids that share corners with four equivalent O(1)Pb4 tetrahedra, corners with eight equivalent F(1)Pb4 trigonal pyramids, edges with two equivalent O(1)Pb4 tetrahedra, and edges with two equivalent F(1)Pb4 trigonal pyramids. is represented by the CIF card [CIF]
data_Pb2OF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.732
_cell_length_b   8.202
_cell_length_c   8.202
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   385.641
_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
  Pb  Pb0  1  0.444  0.974  0.750  1.0
  Pb  Pb1  1  0.444  0.526  0.750  1.0
  Pb  Pb2  1  0.944  0.750  0.526  1.0
  Pb  Pb3  1  0.944  0.750  0.974  1.0
  Pb  Pb4  1  0.056  0.250  0.474  1.0
  Pb  Pb5  1  0.556  0.026  0.250  1.0
  Pb  Pb6  1  0.556  0.474  0.250  1.0
  Pb  Pb7  1  0.056  0.250  0.026  1.0
  O  O8  1  0.166  0.750  0.750  1.0
  O  O9  1  0.666  0.750  0.750  1.0
  O  O10  1  0.834  0.250  0.250  1.0
  O  O11  1  0.334  0.250  0.250  1.0
  F  F12  1  0.750  0.462  0.538  1.0
  F  F13  1  0.250  0.962  0.462  1.0
  F  F14  1  0.250  0.538  0.038  1.0
  F  F15  1  0.750  0.038  0.962  1.0
  F  F16  1  0.250  0.962  0.038  1.0
  F  F17  1  0.750  0.462  0.962  1.0
  F  F18  1  0.750  0.038  0.538  1.0
  F  F19  1  0.250  0.538  0.462  1.0
[/CIF]
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