The material structure described by Hg2SeO4 is Indium-like structured and crystallizes in the monoclinic P2/c space group. The structure is zero-dimensional and consists of two Hg2SeO4 clusters. Hg(1) is bonded in a distorted single-bond geometry to one O(1) atom. Se(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded in a single-bond geometry to one Se(1) atom. In the second O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Hg(1) and one Se(1) atom. is represented by the CIF card [CIF]
data_Hg2SeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.846
_cell_length_b   6.429
_cell_length_c   8.866
_cell_angle_alpha   87.742
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   275.987
_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  0.072  0.190  0.522  1.0
  Hg  Hg1  1  0.072  0.810  0.978  1.0
  Hg  Hg2  1  0.928  0.810  0.478  1.0
  Hg  Hg3  1  0.928  0.190  0.022  1.0
  Se  Se4  1  0.443  0.500  0.750  1.0
  Se  Se5  1  0.557  0.500  0.250  1.0
  O  O6  1  0.771  0.505  0.404  1.0
  O  O7  1  0.771  0.495  0.096  1.0
  O  O8  1  0.229  0.495  0.596  1.0
  O  O9  1  0.229  0.505  0.904  1.0
  O  O10  1  0.379  0.720  0.236  1.0
  O  O11  1  0.379  0.280  0.264  1.0
  O  O12  1  0.621  0.720  0.736  1.0
  O  O13  1  0.621  0.280  0.764  1.0
[/CIF]
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The material structure described by Hg2SeO4 is Indium-like structured and crystallizes in the monoclinic P2/c space group. The structure is zero-dimensional and consists of two Hg2SeO4 clusters. Hg(1) is bonded in a distorted single-bond geometry to one O(1) atom. Se(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded in a single-bond geometry to one Se(1) atom. In the second O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Hg(1) and one Se(1) atom. is represented by the CIF card [CIF]
data_Hg2SeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.846
_cell_length_b   6.429
_cell_length_c   8.866
_cell_angle_alpha   87.742
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   275.987
_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  0.072  0.190  0.522  1.0
  Hg  Hg1  1  0.072  0.810  0.978  1.0
  Hg  Hg2  1  0.928  0.810  0.478  1.0
  Hg  Hg3  1  0.928  0.190  0.022  1.0
  Se  Se4  1  0.443  0.500  0.750  1.0
  Se  Se5  1  0.557  0.500  0.250  1.0
  O  O6  1  0.771  0.505  0.404  1.0
  O  O7  1  0.771  0.495  0.096  1.0
  O  O8  1  0.229  0.495  0.596  1.0
  O  O9  1  0.229  0.505  0.904  1.0
  O  O10  1  0.379  0.720  0.236  1.0
  O  O11  1  0.379  0.280  0.264  1.0
  O  O12  1  0.621  0.720  0.736  1.0
  O  O13  1  0.621  0.280  0.764  1.0
[/CIF]
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