The structure described by PbTeO3 crystallizes in the tetragonal P4_1 space group. Pb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing PbO6 pentagonal pyramids. Te(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Pb(1) and one Te(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Pb(1) and one Te(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Pb(1) and one Te(1) atom. is represented by the CIF card [CIF]
data_TePbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.350
_cell_length_b   5.350
_cell_length_c   11.968
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   342.590
_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
  Te  Te0  1  0.252  0.257  0.490  1.0
  Te  Te1  1  0.257  0.748  0.240  1.0
  Te  Te2  1  0.748  0.743  0.990  1.0
  Te  Te3  1  0.743  0.252  0.740  1.0
  Pb  Pb4  1  0.754  0.243  0.250  1.0
  Pb  Pb5  1  0.243  0.246  0.000  1.0
  Pb  Pb6  1  0.246  0.757  0.750  1.0
  Pb  Pb7  1  0.757  0.754  0.500  1.0
  O  O8  1  0.388  0.019  0.588  1.0
  O  O9  1  0.522  0.124  0.846  1.0
  O  O10  1  0.478  0.876  0.346  1.0
  O  O11  1  0.119  0.061  0.201  1.0
  O  O12  1  0.061  0.881  0.951  1.0
  O  O13  1  0.019  0.612  0.338  1.0
  O  O14  1  0.124  0.478  0.596  1.0
  O  O15  1  0.876  0.522  0.096  1.0
  O  O16  1  0.981  0.388  0.838  1.0
  O  O17  1  0.612  0.981  0.088  1.0
  O  O18  1  0.881  0.939  0.701  1.0
  O  O19  1  0.939  0.119  0.451  1.0
[/CIF]
.
The structure described by PbTeO3 crystallizes in the tetragonal P4_1 space group. Pb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing PbO6 pentagonal pyramids. Te(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Pb(1) and one Te(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Pb(1) and one Te(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Pb(1) and one Te(1) atom. is represented by the CIF card [CIF]
data_TePbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.350
_cell_length_b   5.350
_cell_length_c   11.968
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   342.590
_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
  Te  Te0  1  0.252  0.257  0.490  1.0
  Te  Te1  1  0.257  0.748  0.240  1.0
  Te  Te2  1  0.748  0.743  0.990  1.0
  Te  Te3  1  0.743  0.252  0.740  1.0
  Pb  Pb4  1  0.754  0.243  0.250  1.0
  Pb  Pb5  1  0.243  0.246  0.000  1.0
  Pb  Pb6  1  0.246  0.757  0.750  1.0
  Pb  Pb7  1  0.757  0.754  0.500  1.0
  O  O8  1  0.388  0.019  0.588  1.0
  O  O9  1  0.522  0.124  0.846  1.0
  O  O10  1  0.478  0.876  0.346  1.0
  O  O11  1  0.119  0.061  0.201  1.0
  O  O12  1  0.061  0.881  0.951  1.0
  O  O13  1  0.019  0.612  0.338  1.0
  O  O14  1  0.124  0.478  0.596  1.0
  O  O15  1  0.876  0.522  0.096  1.0
  O  O16  1  0.981  0.388  0.838  1.0
  O  O17  1  0.612  0.981  0.088  1.0
  O  O18  1  0.881  0.939  0.701  1.0
  O  O19  1  0.939  0.119  0.451  1.0
[/CIF]
.