The material described by KHgOI3 crystallizes in the orthorhombic Pna2_1 space group. K(1) is bonded in a distorted bent 150 degrees geometry to two equivalent O(1), two equivalent I(2), and two equivalent I(3) atoms. Hg(1) is bonded to one I(2), one I(3), and two equivalent I(1) atoms to form distorted corner-sharing HgI4 trigonal pyramids. O(1) is bonded in a trigonal planar geometry to two equivalent K(1) and one I(1) atom. There are three inequivalent I sites. In the first I site, I(1) is bonded in a distorted single-bond geometry to two equivalent Hg(1) and one O(1) atom. In the second I site, I(2) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Hg(1) atom. In the third I site, I(3) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Hg(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KHgI3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.454
_cell_length_b   8.734
_cell_length_c   13.092
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   966.754
_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
  K  K0  1  0.590  0.304  0.597  1.0
  K  K1  1  0.410  0.696  0.097  1.0
  K  K2  1  0.910  0.804  0.097  1.0
  K  K3  1  0.090  0.196  0.597  1.0
  Hg  Hg4  1  0.789  0.324  0.271  1.0
  Hg  Hg5  1  0.211  0.676  0.771  1.0
  Hg  Hg6  1  0.711  0.824  0.771  1.0
  Hg  Hg7  1  0.289  0.176  0.271  1.0
  I  I8  1  0.048  0.355  0.112  1.0
  I  I9  1  0.952  0.645  0.612  1.0
  I  I10  1  0.452  0.855  0.612  1.0
  I  I11  1  0.548  0.145  0.112  1.0
  I  I12  1  0.794  0.126  0.795  1.0
  I  I13  1  0.206  0.874  0.295  1.0
  I  I14  1  0.706  0.626  0.295  1.0
  I  I15  1  0.294  0.374  0.795  1.0
  I  I16  1  0.783  0.082  0.405  1.0
  I  I17  1  0.217  0.918  0.905  1.0
  I  I18  1  0.717  0.582  0.905  1.0
  I  I19  1  0.283  0.418  0.405  1.0
  O  O20  1  0.882  0.438  0.618  1.0
  O  O21  1  0.118  0.562  0.118  1.0
  O  O22  1  0.618  0.938  0.118  1.0
  O  O23  1  0.382  0.062  0.618  1.0
[/CIF]
.
The material described by KHgOI3 crystallizes in the orthorhombic Pna2_1 space group. K(1) is bonded in a distorted bent 150 degrees geometry to two equivalent O(1), two equivalent I(2), and two equivalent I(3) atoms. Hg(1) is bonded to one I(2), one I(3), and two equivalent I(1) atoms to form distorted corner-sharing HgI4 trigonal pyramids. O(1) is bonded in a trigonal planar geometry to two equivalent K(1) and one I(1) atom. There are three inequivalent I sites. In the first I site, I(1) is bonded in a distorted single-bond geometry to two equivalent Hg(1) and one O(1) atom. In the second I site, I(2) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Hg(1) atom. In the third I site, I(3) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Hg(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KHgI3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.454
_cell_length_b   8.734
_cell_length_c   13.092
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   966.754
_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
  K  K0  1  0.590  0.304  0.597  1.0
  K  K1  1  0.410  0.696  0.097  1.0
  K  K2  1  0.910  0.804  0.097  1.0
  K  K3  1  0.090  0.196  0.597  1.0
  Hg  Hg4  1  0.789  0.324  0.271  1.0
  Hg  Hg5  1  0.211  0.676  0.771  1.0
  Hg  Hg6  1  0.711  0.824  0.771  1.0
  Hg  Hg7  1  0.289  0.176  0.271  1.0
  I  I8  1  0.048  0.355  0.112  1.0
  I  I9  1  0.952  0.645  0.612  1.0
  I  I10  1  0.452  0.855  0.612  1.0
  I  I11  1  0.548  0.145  0.112  1.0
  I  I12  1  0.794  0.126  0.795  1.0
  I  I13  1  0.206  0.874  0.295  1.0
  I  I14  1  0.706  0.626  0.295  1.0
  I  I15  1  0.294  0.374  0.795  1.0
  I  I16  1  0.783  0.082  0.405  1.0
  I  I17  1  0.217  0.918  0.905  1.0
  I  I18  1  0.717  0.582  0.905  1.0
  I  I19  1  0.283  0.418  0.405  1.0
  O  O20  1  0.882  0.438  0.618  1.0
  O  O21  1  0.118  0.562  0.118  1.0
  O  O22  1  0.618  0.938  0.118  1.0
  O  O23  1  0.382  0.062  0.618  1.0
[/CIF]
.