The material structure described by HgMoO4 crystallizes in the monoclinic C2/c space group. Mo(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. Hg(1) is bonded in a distorted linear geometry to two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Mo(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Mo(1) and one Hg(1) atom. is represented by the CIF file [CIF]
data_HgMoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.139
_cell_length_b   6.104
_cell_length_c   6.447
_cell_angle_alpha   118.255
_cell_angle_beta   109.345
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   165.070
_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
  Hg  Hg0  1  0.500  0.500  0.500  1.0
  Hg  Hg1  1  0.000  0.000  0.500  1.0
  Mo  Mo2  1  0.750  0.192  0.000  1.0
  Mo  Mo3  1  0.250  0.808  0.000  1.0
  O  O4  1  0.971  0.478  0.226  1.0
  O  O5  1  0.529  0.252  0.774  1.0
  O  O6  1  0.029  0.522  0.774  1.0
  O  O7  1  0.471  0.748  0.226  1.0
  O  O8  1  0.036  0.008  0.195  1.0
  O  O9  1  0.464  0.812  0.805  1.0
  O  O10  1  0.964  0.992  0.805  1.0
  O  O11  1  0.536  0.188  0.195  1.0
[/CIF]
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The material structure described by HgMoO4 crystallizes in the monoclinic C2/c space group. Mo(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. Hg(1) is bonded in a distorted linear geometry to two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Mo(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Mo(1) and one Hg(1) atom. is represented by the CIF file [CIF]
data_HgMoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.139
_cell_length_b   6.104
_cell_length_c   6.447
_cell_angle_alpha   118.255
_cell_angle_beta   109.345
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   165.070
_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
  Hg  Hg0  1  0.500  0.500  0.500  1.0
  Hg  Hg1  1  0.000  0.000  0.500  1.0
  Mo  Mo2  1  0.750  0.192  0.000  1.0
  Mo  Mo3  1  0.250  0.808  0.000  1.0
  O  O4  1  0.971  0.478  0.226  1.0
  O  O5  1  0.529  0.252  0.774  1.0
  O  O6  1  0.029  0.522  0.774  1.0
  O  O7  1  0.471  0.748  0.226  1.0
  O  O8  1  0.036  0.008  0.195  1.0
  O  O9  1  0.464  0.812  0.805  1.0
  O  O10  1  0.964  0.992  0.805  1.0
  O  O11  1  0.536  0.188  0.195  1.0
[/CIF]
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