The compound described by HgSeO3 crystallizes in the monoclinic P2_1/c space group. Hg(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Hg(1) and one Se(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Hg(1) and one Se(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Hg(1) and one Se(1) atom. is represented by the CIF file [CIF]
data_HgSeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.149
_cell_length_b   4.823
_cell_length_c   7.168
_cell_angle_alpha   88.813
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   316.245
_cell_formula_units_Z   4
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  0.677  0.219  0.028  1.0
  Hg  Hg1  1  0.177  0.781  0.472  1.0
  Hg  Hg2  1  0.323  0.781  0.972  1.0
  Hg  Hg3  1  0.823  0.219  0.528  1.0
  Se  Se4  1  0.065  0.251  0.182  1.0
  Se  Se5  1  0.565  0.749  0.318  1.0
  Se  Se6  1  0.935  0.749  0.818  1.0
  Se  Se7  1  0.435  0.251  0.682  1.0
  O  O8  1  0.130  0.296  0.402  1.0
  O  O9  1  0.630  0.704  0.098  1.0
  O  O10  1  0.870  0.704  0.598  1.0
  O  O11  1  0.370  0.296  0.902  1.0
  O  O12  1  0.879  0.273  0.230  1.0
  O  O13  1  0.379  0.727  0.270  1.0
  O  O14  1  0.121  0.727  0.770  1.0
  O  O15  1  0.621  0.273  0.730  1.0
  O  O16  1  0.906  0.100  0.828  1.0
  O  O17  1  0.406  0.900  0.672  1.0
  O  O18  1  0.094  0.900  0.172  1.0
  O  O19  1  0.594  0.100  0.328  1.0
[/CIF]
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The compound described by HgSeO3 crystallizes in the monoclinic P2_1/c space group. Hg(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Hg(1) and one Se(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Hg(1) and one Se(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Hg(1) and one Se(1) atom. is represented by the CIF file [CIF]
data_HgSeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.149
_cell_length_b   4.823
_cell_length_c   7.168
_cell_angle_alpha   88.813
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   316.245
_cell_formula_units_Z   4
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  0.677  0.219  0.028  1.0
  Hg  Hg1  1  0.177  0.781  0.472  1.0
  Hg  Hg2  1  0.323  0.781  0.972  1.0
  Hg  Hg3  1  0.823  0.219  0.528  1.0
  Se  Se4  1  0.065  0.251  0.182  1.0
  Se  Se5  1  0.565  0.749  0.318  1.0
  Se  Se6  1  0.935  0.749  0.818  1.0
  Se  Se7  1  0.435  0.251  0.682  1.0
  O  O8  1  0.130  0.296  0.402  1.0
  O  O9  1  0.630  0.704  0.098  1.0
  O  O10  1  0.870  0.704  0.598  1.0
  O  O11  1  0.370  0.296  0.902  1.0
  O  O12  1  0.879  0.273  0.230  1.0
  O  O13  1  0.379  0.727  0.270  1.0
  O  O14  1  0.121  0.727  0.770  1.0
  O  O15  1  0.621  0.273  0.730  1.0
  O  O16  1  0.906  0.100  0.828  1.0
  O  O17  1  0.406  0.900  0.672  1.0
  O  O18  1  0.094  0.900  0.172  1.0
  O  O19  1  0.594  0.100  0.328  1.0
[/CIF]
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