The compound described by KHSeO3 crystallizes in the triclinic P-1 space group. K(1) is bonded in a 6-coordinate geometry to one O(1), two equivalent O(3), and three equivalent O(2) atoms. H(1) is bonded in a single-bond geometry to one O(1) atom. 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 distorted single-bond geometry to one K(1), one H(1), and one Se(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent K(1) and one Se(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to two equivalent K(1) and one Se(1) atom. is represented by the CIF card [CIF]
data_KHSeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.204
_cell_length_b   5.852
_cell_length_c   6.821
_cell_angle_alpha   109.060
_cell_angle_beta   107.934
_cell_angle_gamma   91.288
_symmetry_Int_Tables_number   1
_cell_volume   185.064
_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
  K  K0  1  0.363  0.643  0.226  1.0
  K  K1  1  0.637  0.357  0.774  1.0
  H  H2  1  0.258  0.101  0.047  1.0
  H  H3  1  0.742  0.899  0.953  1.0
  Se  Se4  1  0.949  0.178  0.322  1.0
  Se  Se5  1  0.051  0.822  0.678  1.0
  O  O6  1  0.238  0.107  0.897  1.0
  O  O7  1  0.762  0.893  0.103  1.0
  O  O8  1  0.849  0.399  0.217  1.0
  O  O9  1  0.151  0.601  0.783  1.0
  O  O10  1  0.273  0.153  0.314  1.0
  O  O11  1  0.727  0.847  0.686  1.0
[/CIF]
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The compound described by KHSeO3 crystallizes in the triclinic P-1 space group. K(1) is bonded in a 6-coordinate geometry to one O(1), two equivalent O(3), and three equivalent O(2) atoms. H(1) is bonded in a single-bond geometry to one O(1) atom. 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 distorted single-bond geometry to one K(1), one H(1), and one Se(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent K(1) and one Se(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to two equivalent K(1) and one Se(1) atom. is represented by the CIF card [CIF]
data_KHSeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.204
_cell_length_b   5.852
_cell_length_c   6.821
_cell_angle_alpha   109.060
_cell_angle_beta   107.934
_cell_angle_gamma   91.288
_symmetry_Int_Tables_number   1
_cell_volume   185.064
_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
  K  K0  1  0.363  0.643  0.226  1.0
  K  K1  1  0.637  0.357  0.774  1.0
  H  H2  1  0.258  0.101  0.047  1.0
  H  H3  1  0.742  0.899  0.953  1.0
  Se  Se4  1  0.949  0.178  0.322  1.0
  Se  Se5  1  0.051  0.822  0.678  1.0
  O  O6  1  0.238  0.107  0.897  1.0
  O  O7  1  0.762  0.893  0.103  1.0
  O  O8  1  0.849  0.399  0.217  1.0
  O  O9  1  0.151  0.601  0.783  1.0
  O  O10  1  0.273  0.153  0.314  1.0
  O  O11  1  0.727  0.847  0.686  1.0
[/CIF]
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