The material structure described by Pb2Ir2O7 crystallizes in the cubic Fd-3m space group. Ir(1) is bonded to six equivalent O(1) atoms to form IrO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra and edges with six equivalent Pb(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 49°. Pb(1) is bonded to two equivalent O(2) and six equivalent O(1) atoms to form distorted PbO8 hexagonal bipyramids that share edges with six equivalent Pb(1)O8 hexagonal bipyramids and edges with six equivalent Ir(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ir(1) and two equivalent Pb(1) atoms to form distorted OIr2Pb2 tetrahedra that share corners with two equivalent O(2)Pb4 tetrahedra, corners with twelve equivalent O(1)Ir2Pb2 tetrahedra,  an edgeedge with one O(2)Pb4 tetrahedra, and edges with four equivalent O(1)Ir2Pb2 tetrahedra. In the second O site, O(2) is bonded to four equivalent Pb(1) atoms to form OPb4 tetrahedra that share corners with four equivalent O(2)Pb4 tetrahedra, corners with twelve equivalent O(1)Ir2Pb2 tetrahedra, and edges with six equivalent O(1)Ir2Pb2 tetrahedra. is represented by the CIF file [CIF]
data_Ir2Pb2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.281
_cell_length_b   7.281
_cell_length_c   7.281
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   272.954
_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
  Ir  Ir0  1  0.125  0.625  0.625  1.0
  Ir  Ir1  1  0.625  0.125  0.625  1.0
  Ir  Ir2  1  0.625  0.625  0.125  1.0
  Ir  Ir3  1  0.625  0.625  0.625  1.0
  Pb  Pb4  1  0.625  0.125  0.125  1.0
  Pb  Pb5  1  0.125  0.625  0.125  1.0
  Pb  Pb6  1  0.125  0.125  0.625  1.0
  Pb  Pb7  1  0.125  0.125  0.125  1.0
  O  O8  1  0.705  0.705  0.295  1.0
  O  O9  1  0.295  0.295  0.705  1.0
  O  O10  1  0.705  0.295  0.705  1.0
  O  O11  1  0.295  0.705  0.295  1.0
  O  O12  1  0.295  0.705  0.705  1.0
  O  O13  1  0.705  0.295  0.295  1.0
  O  O14  1  0.545  0.545  0.955  1.0
  O  O15  1  0.955  0.955  0.545  1.0
  O  O16  1  0.545  0.955  0.545  1.0
  O  O17  1  0.955  0.545  0.955  1.0
  O  O18  1  0.955  0.545  0.545  1.0
  O  O19  1  0.545  0.955  0.955  1.0
  O  O20  1  0.250  0.250  0.250  1.0
  O  O21  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by Pb2Ir2O7 crystallizes in the cubic Fd-3m space group. Ir(1) is bonded to six equivalent O(1) atoms to form IrO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra and edges with six equivalent Pb(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 49°. Pb(1) is bonded to two equivalent O(2) and six equivalent O(1) atoms to form distorted PbO8 hexagonal bipyramids that share edges with six equivalent Pb(1)O8 hexagonal bipyramids and edges with six equivalent Ir(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ir(1) and two equivalent Pb(1) atoms to form distorted OIr2Pb2 tetrahedra that share corners with two equivalent O(2)Pb4 tetrahedra, corners with twelve equivalent O(1)Ir2Pb2 tetrahedra,  an edgeedge with one O(2)Pb4 tetrahedra, and edges with four equivalent O(1)Ir2Pb2 tetrahedra. In the second O site, O(2) is bonded to four equivalent Pb(1) atoms to form OPb4 tetrahedra that share corners with four equivalent O(2)Pb4 tetrahedra, corners with twelve equivalent O(1)Ir2Pb2 tetrahedra, and edges with six equivalent O(1)Ir2Pb2 tetrahedra. is represented by the CIF file [CIF]
data_Ir2Pb2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.281
_cell_length_b   7.281
_cell_length_c   7.281
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   272.954
_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
  Ir  Ir0  1  0.125  0.625  0.625  1.0
  Ir  Ir1  1  0.625  0.125  0.625  1.0
  Ir  Ir2  1  0.625  0.625  0.125  1.0
  Ir  Ir3  1  0.625  0.625  0.625  1.0
  Pb  Pb4  1  0.625  0.125  0.125  1.0
  Pb  Pb5  1  0.125  0.625  0.125  1.0
  Pb  Pb6  1  0.125  0.125  0.625  1.0
  Pb  Pb7  1  0.125  0.125  0.125  1.0
  O  O8  1  0.705  0.705  0.295  1.0
  O  O9  1  0.295  0.295  0.705  1.0
  O  O10  1  0.705  0.295  0.705  1.0
  O  O11  1  0.295  0.705  0.295  1.0
  O  O12  1  0.295  0.705  0.705  1.0
  O  O13  1  0.705  0.295  0.295  1.0
  O  O14  1  0.545  0.545  0.955  1.0
  O  O15  1  0.955  0.955  0.545  1.0
  O  O16  1  0.545  0.955  0.545  1.0
  O  O17  1  0.955  0.545  0.955  1.0
  O  O18  1  0.955  0.545  0.545  1.0
  O  O19  1  0.545  0.955  0.955  1.0
  O  O20  1  0.250  0.250  0.250  1.0
  O  O21  1  0.000  0.000  0.000  1.0
[/CIF]
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