The material structure described by PbWO4 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one PbWO4 cluster. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(5) atom. In the second W site, W(2) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(6), and one O(8) atom. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a water-like geometry to one O(4) and one O(8) atom. In the second Pb site, Pb(2) is bonded in a water-like geometry to one O(5) and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one W(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one W(1) and one W(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one W(1) and one W(2) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Pb(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one W(1) and one Pb(2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one W(2) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one Pb(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one W(2) and one Pb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_PbWO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.134
_cell_length_b   5.971
_cell_length_c   6.958
_cell_angle_alpha   112.945
_cell_angle_beta   108.859
_cell_angle_gamma   96.111
_symmetry_Int_Tables_number   1
_cell_volume   179.124
_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  0.388  0.137  0.729  1.0
  Pb  Pb1  1  0.617  0.866  0.271  1.0
  W  W2  1  0.847  0.596  0.810  1.0
  W  W3  1  0.159  0.408  0.188  1.0
  O  O4  1  0.729  0.551  0.604  1.0
  O  O5  1  0.997  0.676  0.069  1.0
  O  O6  1  0.006  0.327  0.929  1.0
  O  O7  1  0.172  0.849  0.604  1.0
  O  O8  1  0.566  0.745  0.930  1.0
  O  O9  1  0.276  0.453  0.396  1.0
  O  O10  1  0.834  0.156  0.394  1.0
  O  O11  1  0.436  0.257  0.069  1.0
[/CIF]
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The material structure described by PbWO4 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one PbWO4 cluster. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(5) atom. In the second W site, W(2) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(6), and one O(8) atom. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a water-like geometry to one O(4) and one O(8) atom. In the second Pb site, Pb(2) is bonded in a water-like geometry to one O(5) and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one W(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one W(1) and one W(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one W(1) and one W(2) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Pb(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one W(1) and one Pb(2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one W(2) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one Pb(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one W(2) and one Pb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_PbWO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.134
_cell_length_b   5.971
_cell_length_c   6.958
_cell_angle_alpha   112.945
_cell_angle_beta   108.859
_cell_angle_gamma   96.111
_symmetry_Int_Tables_number   1
_cell_volume   179.124
_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  0.388  0.137  0.729  1.0
  Pb  Pb1  1  0.617  0.866  0.271  1.0
  W  W2  1  0.847  0.596  0.810  1.0
  W  W3  1  0.159  0.408  0.188  1.0
  O  O4  1  0.729  0.551  0.604  1.0
  O  O5  1  0.997  0.676  0.069  1.0
  O  O6  1  0.006  0.327  0.929  1.0
  O  O7  1  0.172  0.849  0.604  1.0
  O  O8  1  0.566  0.745  0.930  1.0
  O  O9  1  0.276  0.453  0.396  1.0
  O  O10  1  0.834  0.156  0.394  1.0
  O  O11  1  0.436  0.257  0.069  1.0
[/CIF]
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