The material described by PbO2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. Pb(1) is bonded in a 7-coordinate geometry to three equivalent O(2) and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded in a trigonal non-coplanar geometry to three equivalent Pb(1) atoms. In the second O site, O(1) is bonded to four equivalent Pb(1) atoms to form a mixture of distorted corner and edge-sharing OPb4 tetrahedra. is represented by the CIF card [CIF]
data_PbO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.800
_cell_length_b   5.544
_cell_length_c   7.587
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   159.832
_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  0.250  0.767  0.412  1.0
  Pb  Pb1  1  0.250  0.267  0.088  1.0
  Pb  Pb2  1  0.750  0.233  0.588  1.0
  Pb  Pb3  1  0.750  0.733  0.912  1.0
  O  O4  1  0.250  0.884  0.113  1.0
  O  O5  1  0.250  0.384  0.387  1.0
  O  O6  1  0.750  0.116  0.887  1.0
  O  O7  1  0.750  0.616  0.613  1.0
  O  O8  1  0.750  0.477  0.134  1.0
  O  O9  1  0.750  0.977  0.366  1.0
  O  O10  1  0.250  0.523  0.866  1.0
  O  O11  1  0.250  0.023  0.634  1.0
[/CIF]
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The material described by PbO2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. Pb(1) is bonded in a 7-coordinate geometry to three equivalent O(2) and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded in a trigonal non-coplanar geometry to three equivalent Pb(1) atoms. In the second O site, O(1) is bonded to four equivalent Pb(1) atoms to form a mixture of distorted corner and edge-sharing OPb4 tetrahedra. is represented by the CIF card [CIF]
data_PbO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.800
_cell_length_b   5.544
_cell_length_c   7.587
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   159.832
_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  0.250  0.767  0.412  1.0
  Pb  Pb1  1  0.250  0.267  0.088  1.0
  Pb  Pb2  1  0.750  0.233  0.588  1.0
  Pb  Pb3  1  0.750  0.733  0.912  1.0
  O  O4  1  0.250  0.884  0.113  1.0
  O  O5  1  0.250  0.384  0.387  1.0
  O  O6  1  0.750  0.116  0.887  1.0
  O  O7  1  0.750  0.616  0.613  1.0
  O  O8  1  0.750  0.477  0.134  1.0
  O  O9  1  0.750  0.977  0.366  1.0
  O  O10  1  0.250  0.523  0.866  1.0
  O  O11  1  0.250  0.023  0.634  1.0
[/CIF]
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