The material described by PbWO4 crystallizes in the triclinic P-1 space group. W(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. Pb(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one W(1) and two equivalent Pb(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to one W(1) and two equivalent Pb(1) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to one W(1) and two equivalent Pb(1) atoms. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one W(1) and two equivalent Pb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_PbWO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.579
_cell_length_b   5.616
_cell_length_c   7.220
_cell_angle_alpha   112.838
_cell_angle_beta   112.560
_cell_angle_gamma   89.988
_symmetry_Int_Tables_number   1
_cell_volume   189.552
_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  0.873  0.619  0.750  1.0
  Pb  Pb1  1  0.127  0.381  0.250  1.0
  W  W2  1  0.621  0.876  0.251  1.0
  W  W3  1  0.379  0.124  0.749  1.0
  O  O4  1  0.435  0.809  0.579  1.0
  O  O5  1  0.850  0.726  0.414  1.0
  O  O6  1  0.695  0.350  0.915  1.0
  O  O7  1  0.765  0.931  0.080  1.0
  O  O8  1  0.235  0.069  0.920  1.0
  O  O9  1  0.305  0.650  0.085  1.0
  O  O10  1  0.150  0.274  0.586  1.0
  O  O11  1  0.565  0.191  0.421  1.0
[/CIF]
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The material described by PbWO4 crystallizes in the triclinic P-1 space group. W(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. Pb(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one W(1) and two equivalent Pb(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to one W(1) and two equivalent Pb(1) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to one W(1) and two equivalent Pb(1) atoms. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one W(1) and two equivalent Pb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_PbWO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.579
_cell_length_b   5.616
_cell_length_c   7.220
_cell_angle_alpha   112.838
_cell_angle_beta   112.560
_cell_angle_gamma   89.988
_symmetry_Int_Tables_number   1
_cell_volume   189.552
_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  0.873  0.619  0.750  1.0
  Pb  Pb1  1  0.127  0.381  0.250  1.0
  W  W2  1  0.621  0.876  0.251  1.0
  W  W3  1  0.379  0.124  0.749  1.0
  O  O4  1  0.435  0.809  0.579  1.0
  O  O5  1  0.850  0.726  0.414  1.0
  O  O6  1  0.695  0.350  0.915  1.0
  O  O7  1  0.765  0.931  0.080  1.0
  O  O8  1  0.235  0.069  0.920  1.0
  O  O9  1  0.305  0.650  0.085  1.0
  O  O10  1  0.150  0.274  0.586  1.0
  O  O11  1  0.565  0.191  0.421  1.0
[/CIF]
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