The material structure described by HgWO4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(4), one O(5), one O(7), and two equivalent O(8) atoms to form a mixture of distorted corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 29-38°. In the second W site, W(2) is bonded to one O(2), one O(5), one O(6), one O(7), and two equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 29-38°. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), one O(6), and one O(8) atom. In the second Hg site, Hg(2) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a bent 150 degrees geometry to one W(1) and one W(2) atom. In the second O site, O(6) is bonded in a distorted single-bond geometry to one W(2) and one Hg(1) atom. In the third O site, O(7) is bonded in a bent 150 degrees geometry to one W(1) and one W(2) atom. In the fourth O site, O(8) is bonded to two equivalent W(1), one Hg(1), and one Hg(2) atom to form edge-sharing OHg2W2 tetrahedra. In the fifth O site, O(1) is bonded in a bent 150 degrees geometry to one W(1) and one Hg(2) atom. In the sixth O site, O(2) is bonded in a distorted trigonal planar geometry to one W(2), one Hg(1), and one Hg(2) atom. In the seventh O site, O(3) is bonded in a 2-coordinate geometry to two equivalent W(2) and one Hg(1) atom. In the eighth O site, O(4) is bonded in a bent 120 degrees geometry to one W(1) and one Hg(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_HgWO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.453
_cell_length_b   6.821
_cell_length_c   14.237
_cell_angle_alpha   62.400
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   641.414
_cell_formula_units_Z   8
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
  Hg  Hg0  1  0.805  0.012  0.342  1.0
  Hg  Hg1  1  0.695  0.012  0.842  1.0
  Hg  Hg2  1  0.195  0.988  0.658  1.0
  Hg  Hg3  1  0.305  0.988  0.158  1.0
  Hg  Hg4  1  0.556  0.509  0.365  1.0
  Hg  Hg5  1  0.944  0.509  0.865  1.0
  Hg  Hg6  1  0.444  0.491  0.635  1.0
  Hg  Hg7  1  0.056  0.491  0.135  1.0
  W  W8  1  0.331  0.986  0.415  1.0
  W  W9  1  0.169  0.986  0.915  1.0
  W  W10  1  0.669  0.014  0.585  1.0
  W  W11  1  0.831  0.014  0.085  1.0
  W  W12  1  0.045  0.436  0.408  1.0
  W  W13  1  0.455  0.436  0.908  1.0
  W  W14  1  0.955  0.564  0.592  1.0
  W  W15  1  0.545  0.564  0.092  1.0
  O  O16  1  0.465  0.756  0.416  1.0
  O  O17  1  0.035  0.756  0.916  1.0
  O  O18  1  0.535  0.244  0.584  1.0
  O  O19  1  0.965  0.244  0.084  1.0
  O  O20  1  0.933  0.360  0.311  1.0
  O  O21  1  0.567  0.360  0.811  1.0
  O  O22  1  0.067  0.640  0.689  1.0
  O  O23  1  0.433  0.640  0.189  1.0
  O  O24  1  0.857  0.586  0.449  1.0
  O  O25  1  0.643  0.586  0.949  1.0
  O  O26  1  0.143  0.414  0.551  1.0
  O  O27  1  0.357  0.414  0.051  1.0
  O  O28  1  0.281  0.130  0.273  1.0
  O  O29  1  0.219  0.130  0.773  1.0
  O  O30  1  0.719  0.870  0.727  1.0
  O  O31  1  0.781  0.870  0.227  1.0
  O  O32  1  0.251  0.248  0.431  1.0
  O  O33  1  0.249  0.248  0.931  1.0
  O  O34  1  0.749  0.752  0.569  1.0
  O  O35  1  0.751  0.752  0.069  1.0
  O  O36  1  0.147  0.684  0.317  1.0
  O  O37  1  0.353  0.684  0.817  1.0
  O  O38  1  0.853  0.316  0.683  1.0
  O  O39  1  0.647  0.316  0.183  1.0
  O  O40  1  0.113  0.851  0.473  1.0
  O  O41  1  0.387  0.851  0.973  1.0
  O  O42  1  0.887  0.149  0.527  1.0
  O  O43  1  0.613  0.149  0.027  1.0
  O  O44  1  0.582  0.140  0.416  1.0
  O  O45  1  0.918  0.140  0.916  1.0
  O  O46  1  0.418  0.860  0.584  1.0
  O  O47  1  0.082  0.860  0.084  1.0
[/CIF]
.
The material structure described by HgWO4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(4), one O(5), one O(7), and two equivalent O(8) atoms to form a mixture of distorted corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 29-38°. In the second W site, W(2) is bonded to one O(2), one O(5), one O(6), one O(7), and two equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 29-38°. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), one O(6), and one O(8) atom. In the second Hg site, Hg(2) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a bent 150 degrees geometry to one W(1) and one W(2) atom. In the second O site, O(6) is bonded in a distorted single-bond geometry to one W(2) and one Hg(1) atom. In the third O site, O(7) is bonded in a bent 150 degrees geometry to one W(1) and one W(2) atom. In the fourth O site, O(8) is bonded to two equivalent W(1), one Hg(1), and one Hg(2) atom to form edge-sharing OHg2W2 tetrahedra. In the fifth O site, O(1) is bonded in a bent 150 degrees geometry to one W(1) and one Hg(2) atom. In the sixth O site, O(2) is bonded in a distorted trigonal planar geometry to one W(2), one Hg(1), and one Hg(2) atom. In the seventh O site, O(3) is bonded in a 2-coordinate geometry to two equivalent W(2) and one Hg(1) atom. In the eighth O site, O(4) is bonded in a bent 120 degrees geometry to one W(1) and one Hg(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_HgWO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.453
_cell_length_b   6.821
_cell_length_c   14.237
_cell_angle_alpha   62.400
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   641.414
_cell_formula_units_Z   8
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
  Hg  Hg0  1  0.805  0.012  0.342  1.0
  Hg  Hg1  1  0.695  0.012  0.842  1.0
  Hg  Hg2  1  0.195  0.988  0.658  1.0
  Hg  Hg3  1  0.305  0.988  0.158  1.0
  Hg  Hg4  1  0.556  0.509  0.365  1.0
  Hg  Hg5  1  0.944  0.509  0.865  1.0
  Hg  Hg6  1  0.444  0.491  0.635  1.0
  Hg  Hg7  1  0.056  0.491  0.135  1.0
  W  W8  1  0.331  0.986  0.415  1.0
  W  W9  1  0.169  0.986  0.915  1.0
  W  W10  1  0.669  0.014  0.585  1.0
  W  W11  1  0.831  0.014  0.085  1.0
  W  W12  1  0.045  0.436  0.408  1.0
  W  W13  1  0.455  0.436  0.908  1.0
  W  W14  1  0.955  0.564  0.592  1.0
  W  W15  1  0.545  0.564  0.092  1.0
  O  O16  1  0.465  0.756  0.416  1.0
  O  O17  1  0.035  0.756  0.916  1.0
  O  O18  1  0.535  0.244  0.584  1.0
  O  O19  1  0.965  0.244  0.084  1.0
  O  O20  1  0.933  0.360  0.311  1.0
  O  O21  1  0.567  0.360  0.811  1.0
  O  O22  1  0.067  0.640  0.689  1.0
  O  O23  1  0.433  0.640  0.189  1.0
  O  O24  1  0.857  0.586  0.449  1.0
  O  O25  1  0.643  0.586  0.949  1.0
  O  O26  1  0.143  0.414  0.551  1.0
  O  O27  1  0.357  0.414  0.051  1.0
  O  O28  1  0.281  0.130  0.273  1.0
  O  O29  1  0.219  0.130  0.773  1.0
  O  O30  1  0.719  0.870  0.727  1.0
  O  O31  1  0.781  0.870  0.227  1.0
  O  O32  1  0.251  0.248  0.431  1.0
  O  O33  1  0.249  0.248  0.931  1.0
  O  O34  1  0.749  0.752  0.569  1.0
  O  O35  1  0.751  0.752  0.069  1.0
  O  O36  1  0.147  0.684  0.317  1.0
  O  O37  1  0.353  0.684  0.817  1.0
  O  O38  1  0.853  0.316  0.683  1.0
  O  O39  1  0.647  0.316  0.183  1.0
  O  O40  1  0.113  0.851  0.473  1.0
  O  O41  1  0.387  0.851  0.973  1.0
  O  O42  1  0.887  0.149  0.527  1.0
  O  O43  1  0.613  0.149  0.027  1.0
  O  O44  1  0.582  0.140  0.416  1.0
  O  O45  1  0.918  0.140  0.916  1.0
  O  O46  1  0.418  0.860  0.584  1.0
  O  O47  1  0.082  0.860  0.084  1.0
[/CIF]
.