The material structure described by HgSeO4 crystallizes in the orthorhombic Pmn2_1 space group. Hg(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), and two equivalent O(3) atoms. Se(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Hg(1) and one Se(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Hg(1) and one Se(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Hg(1) and one Se(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_HgSeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.935
_cell_length_b   5.013
_cell_length_c   6.814
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   168.586
_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  0.150  0.498  0.500  1.0
  Hg  Hg1  1  0.850  0.998  0.000  1.0
  Se  Se2  1  0.661  0.980  0.500  1.0
  Se  Se3  1  0.339  0.480  0.000  1.0
  O  O4  1  0.700  0.307  0.500  1.0
  O  O5  1  0.300  0.807  0.000  1.0
  O  O6  1  0.332  0.921  0.500  1.0
  O  O7  1  0.668  0.421  0.000  1.0
  O  O8  1  0.811  0.833  0.691  1.0
  O  O9  1  0.189  0.333  0.809  1.0
  O  O10  1  0.189  0.333  0.191  1.0
  O  O11  1  0.811  0.833  0.309  1.0
[/CIF]
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The material structure described by HgSeO4 crystallizes in the orthorhombic Pmn2_1 space group. Hg(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), and two equivalent O(3) atoms. Se(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Hg(1) and one Se(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Hg(1) and one Se(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Hg(1) and one Se(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_HgSeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.935
_cell_length_b   5.013
_cell_length_c   6.814
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   168.586
_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  0.150  0.498  0.500  1.0
  Hg  Hg1  1  0.850  0.998  0.000  1.0
  Se  Se2  1  0.661  0.980  0.500  1.0
  Se  Se3  1  0.339  0.480  0.000  1.0
  O  O4  1  0.700  0.307  0.500  1.0
  O  O5  1  0.300  0.807  0.000  1.0
  O  O6  1  0.332  0.921  0.500  1.0
  O  O7  1  0.668  0.421  0.000  1.0
  O  O8  1  0.811  0.833  0.691  1.0
  O  O9  1  0.189  0.333  0.809  1.0
  O  O10  1  0.189  0.333  0.191  1.0
  O  O11  1  0.811  0.833  0.309  1.0
[/CIF]
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