The crystal structure described by K2HO6I2Cl crystallizes in the orthorhombic Pca2_1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(6), two equivalent O(4), and two equivalent Cl(1) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to one O(3), one O(6), two equivalent O(1), two equivalent O(5), and two equivalent Cl(1) atoms. H(1) is bonded in a distorted linear geometry to one O(1) and one O(4) atom. There are six inequivalent O sites. In the first O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one K(2), and one I(1) atom. In the second O site, O(4) is bonded in a distorted single-bond geometry to two equivalent K(1), one H(1), and one I(2) atom. In the third O site, O(5) is bonded in a 3-coordinate geometry to two equivalent K(2) and one I(2) atom. In the fourth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one K(2), and one I(2) atom. In the fifth O site, O(1) is bonded in a 4-coordinate geometry to two equivalent K(2), one H(1), and one I(1) atom. In the sixth O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one I(1), and one I(2) atom. There are two inequivalent I sites. In the first I site, I(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), one O(3), and one Cl(1) atom. In the second I site, I(2) is bonded in a 4-coordinate geometry to one O(2), one O(4), one O(5), one O(6), and one Cl(1) atom. Cl(1) is bonded to two equivalent K(1), two equivalent K(2), one I(1), and one I(2) atom to form distorted corner-sharing ClK4I2 octahedra. The corner-sharing octahedral tilt angles range from 11-54°. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2HI2ClO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.674
_cell_length_b   8.774
_cell_length_c   15.187
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   889.250
_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  0.020  0.239  0.015  1.0
  K  K1  1  0.980  0.739  0.985  1.0
  K  K2  1  0.020  0.739  0.485  1.0
  K  K3  1  0.980  0.239  0.515  1.0
  K  K4  1  0.442  0.745  0.764  1.0
  K  K5  1  0.558  0.245  0.236  1.0
  K  K6  1  0.442  0.245  0.736  1.0
  K  K7  1  0.558  0.745  0.264  1.0
  H  H8  1  0.286  0.976  0.108  1.0
  H  H9  1  0.714  0.476  0.892  1.0
  H  H10  1  0.286  0.476  0.392  1.0
  H  H11  1  0.714  0.976  0.608  1.0
  I  I12  1  0.065  0.007  0.282  1.0
  I  I13  1  0.935  0.507  0.718  1.0
  I  I14  1  0.065  0.507  0.218  1.0
  I  I15  1  0.935  0.007  0.782  1.0
  I  I16  1  0.495  0.998  0.966  1.0
  I  I17  1  0.505  0.498  0.034  1.0
  I  I18  1  0.495  0.498  0.534  1.0
  I  I19  1  0.505  0.998  0.466  1.0
  Cl  Cl20  1  0.224  0.467  0.876  1.0
  Cl  Cl21  1  0.776  0.967  0.124  1.0
  Cl  Cl22  1  0.224  0.967  0.624  1.0
  Cl  Cl23  1  0.776  0.467  0.376  1.0
  O  O24  1  0.290  0.992  0.213  1.0
  O  O25  1  0.710  0.492  0.787  1.0
  O  O26  1  0.290  0.492  0.287  1.0
  O  O27  1  0.710  0.992  0.713  1.0
  O  O28  1  0.189  0.068  0.386  1.0
  O  O29  1  0.811  0.568  0.614  1.0
  O  O30  1  0.189  0.568  0.114  1.0
  O  O31  1  0.811  0.068  0.886  1.0
  O  O32  1  0.015  0.806  0.305  1.0
  O  O33  1  0.985  0.306  0.695  1.0
  O  O34  1  0.015  0.306  0.195  1.0
  O  O35  1  0.985  0.806  0.805  1.0
  O  O36  1  0.263  0.964  0.042  1.0
  O  O37  1  0.737  0.464  0.958  1.0
  O  O38  1  0.263  0.464  0.458  1.0
  O  O39  1  0.737  0.964  0.542  1.0
  O  O40  1  0.334  0.043  0.873  1.0
  O  O41  1  0.666  0.543  0.127  1.0
  O  O42  1  0.334  0.543  0.627  1.0
  O  O43  1  0.666  0.043  0.373  1.0
  O  O44  1  0.549  0.799  0.945  1.0
  O  O45  1  0.451  0.299  0.055  1.0
  O  O46  1  0.549  0.299  0.555  1.0
  O  O47  1  0.451  0.799  0.445  1.0
[/CIF]
.
The crystal structure described by K2HO6I2Cl crystallizes in the orthorhombic Pca2_1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(6), two equivalent O(4), and two equivalent Cl(1) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to one O(3), one O(6), two equivalent O(1), two equivalent O(5), and two equivalent Cl(1) atoms. H(1) is bonded in a distorted linear geometry to one O(1) and one O(4) atom. There are six inequivalent O sites. In the first O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one K(2), and one I(1) atom. In the second O site, O(4) is bonded in a distorted single-bond geometry to two equivalent K(1), one H(1), and one I(2) atom. In the third O site, O(5) is bonded in a 3-coordinate geometry to two equivalent K(2) and one I(2) atom. In the fourth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one K(2), and one I(2) atom. In the fifth O site, O(1) is bonded in a 4-coordinate geometry to two equivalent K(2), one H(1), and one I(1) atom. In the sixth O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one I(1), and one I(2) atom. There are two inequivalent I sites. In the first I site, I(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), one O(3), and one Cl(1) atom. In the second I site, I(2) is bonded in a 4-coordinate geometry to one O(2), one O(4), one O(5), one O(6), and one Cl(1) atom. Cl(1) is bonded to two equivalent K(1), two equivalent K(2), one I(1), and one I(2) atom to form distorted corner-sharing ClK4I2 octahedra. The corner-sharing octahedral tilt angles range from 11-54°. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2HI2ClO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.674
_cell_length_b   8.774
_cell_length_c   15.187
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   889.250
_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  0.020  0.239  0.015  1.0
  K  K1  1  0.980  0.739  0.985  1.0
  K  K2  1  0.020  0.739  0.485  1.0
  K  K3  1  0.980  0.239  0.515  1.0
  K  K4  1  0.442  0.745  0.764  1.0
  K  K5  1  0.558  0.245  0.236  1.0
  K  K6  1  0.442  0.245  0.736  1.0
  K  K7  1  0.558  0.745  0.264  1.0
  H  H8  1  0.286  0.976  0.108  1.0
  H  H9  1  0.714  0.476  0.892  1.0
  H  H10  1  0.286  0.476  0.392  1.0
  H  H11  1  0.714  0.976  0.608  1.0
  I  I12  1  0.065  0.007  0.282  1.0
  I  I13  1  0.935  0.507  0.718  1.0
  I  I14  1  0.065  0.507  0.218  1.0
  I  I15  1  0.935  0.007  0.782  1.0
  I  I16  1  0.495  0.998  0.966  1.0
  I  I17  1  0.505  0.498  0.034  1.0
  I  I18  1  0.495  0.498  0.534  1.0
  I  I19  1  0.505  0.998  0.466  1.0
  Cl  Cl20  1  0.224  0.467  0.876  1.0
  Cl  Cl21  1  0.776  0.967  0.124  1.0
  Cl  Cl22  1  0.224  0.967  0.624  1.0
  Cl  Cl23  1  0.776  0.467  0.376  1.0
  O  O24  1  0.290  0.992  0.213  1.0
  O  O25  1  0.710  0.492  0.787  1.0
  O  O26  1  0.290  0.492  0.287  1.0
  O  O27  1  0.710  0.992  0.713  1.0
  O  O28  1  0.189  0.068  0.386  1.0
  O  O29  1  0.811  0.568  0.614  1.0
  O  O30  1  0.189  0.568  0.114  1.0
  O  O31  1  0.811  0.068  0.886  1.0
  O  O32  1  0.015  0.806  0.305  1.0
  O  O33  1  0.985  0.306  0.695  1.0
  O  O34  1  0.015  0.306  0.195  1.0
  O  O35  1  0.985  0.806  0.805  1.0
  O  O36  1  0.263  0.964  0.042  1.0
  O  O37  1  0.737  0.464  0.958  1.0
  O  O38  1  0.263  0.464  0.458  1.0
  O  O39  1  0.737  0.964  0.542  1.0
  O  O40  1  0.334  0.043  0.873  1.0
  O  O41  1  0.666  0.543  0.127  1.0
  O  O42  1  0.334  0.543  0.627  1.0
  O  O43  1  0.666  0.043  0.373  1.0
  O  O44  1  0.549  0.799  0.945  1.0
  O  O45  1  0.451  0.299  0.055  1.0
  O  O46  1  0.549  0.299  0.555  1.0
  O  O47  1  0.451  0.799  0.445  1.0
[/CIF]
.