The crystal structure described by PbWO4 crystallizes in the monoclinic P2_1/c space group. W(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form WO6 octahedra that share corners with four equivalent W(1)O6 octahedra, corners with four equivalent Pb(1)O6 octahedra, and  an edgeedge with one Pb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-68°. Pb(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form distorted PbO6 octahedra that share corners with four equivalent W(1)O6 octahedra,  an edgeedge with one W(1)O6 octahedra, and edges with six equivalent Pb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-68°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent W(1) atoms. In the second O site, O(2) is bonded to one W(1) and three equivalent Pb(1) atoms to form a mixture of distorted edge and corner-sharing OPb3W tetrahedra. In the third O site, O(3) is bonded to one W(1) and three equivalent Pb(1) atoms to form a mixture of distorted edge and corner-sharing OPb3W tetrahedra. In the fourth O site, O(4) is bonded in a linear geometry to two equivalent W(1) atoms. is represented by the CIF card [CIF]
data_PbWO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.995
_cell_length_b   5.844
_cell_length_c   7.874
_cell_angle_alpha   90.000
_cell_angle_beta   104.052
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   178.301
_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
  O  O0  1  0.911  0.250  0.836  1.0
  O  O1  1  0.678  0.973  0.355  1.0
  O  O2  1  0.678  0.527  0.355  1.0
  O  O3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.322  0.027  0.645  1.0
  O  O5  1  0.089  0.750  0.164  1.0
  O  O6  1  0.500  0.000  1.000  1.0
  O  O7  1  0.322  0.473  0.645  1.0
  Pb  Pb8  1  0.200  0.250  0.367  1.0
  Pb  Pb9  1  0.800  0.750  0.633  1.0
  W  W10  1  0.627  0.750  0.172  1.0
  W  W11  1  0.373  0.250  0.828  1.0
[/CIF]
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The crystal structure described by PbWO4 crystallizes in the monoclinic P2_1/c space group. W(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form WO6 octahedra that share corners with four equivalent W(1)O6 octahedra, corners with four equivalent Pb(1)O6 octahedra, and  an edgeedge with one Pb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-68°. Pb(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form distorted PbO6 octahedra that share corners with four equivalent W(1)O6 octahedra,  an edgeedge with one W(1)O6 octahedra, and edges with six equivalent Pb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-68°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent W(1) atoms. In the second O site, O(2) is bonded to one W(1) and three equivalent Pb(1) atoms to form a mixture of distorted edge and corner-sharing OPb3W tetrahedra. In the third O site, O(3) is bonded to one W(1) and three equivalent Pb(1) atoms to form a mixture of distorted edge and corner-sharing OPb3W tetrahedra. In the fourth O site, O(4) is bonded in a linear geometry to two equivalent W(1) atoms. is represented by the CIF card [CIF]
data_PbWO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.995
_cell_length_b   5.844
_cell_length_c   7.874
_cell_angle_alpha   90.000
_cell_angle_beta   104.052
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   178.301
_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
  O  O0  1  0.911  0.250  0.836  1.0
  O  O1  1  0.678  0.973  0.355  1.0
  O  O2  1  0.678  0.527  0.355  1.0
  O  O3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.322  0.027  0.645  1.0
  O  O5  1  0.089  0.750  0.164  1.0
  O  O6  1  0.500  0.000  1.000  1.0
  O  O7  1  0.322  0.473  0.645  1.0
  Pb  Pb8  1  0.200  0.250  0.367  1.0
  Pb  Pb9  1  0.800  0.750  0.633  1.0
  W  W10  1  0.627  0.750  0.172  1.0
  W  W11  1  0.373  0.250  0.828  1.0
[/CIF]
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