The material structure described by K2H2Se(O5I)2 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 9-coordinate geometry to one O(3), one O(4), two equivalent O(1), two equivalent O(5), and three equivalent O(2) atoms. H(1) is bonded in a single-bond geometry to one O(1) and one O(3) atom. Se(1) is bonded in a tetrahedral geometry to two equivalent O(4) and two equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(2) is bonded in a 4-coordinate geometry to three equivalent K(1) and one I(1) atom. In the second O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one H(1), and one I(1) atom. In the third O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one Se(1), and one I(1) atom. In the fourth O site, O(5) is bonded in a distorted single-bond geometry to two equivalent K(1) and one Se(1) atom. In the fifth O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1), one H(1), and one I(1) atom. I(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. is represented by the CIF card [CIF]
data_K2H2Se(IO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.000
_cell_length_b   10.628
_cell_length_c   10.943
_cell_angle_alpha   84.292
_cell_angle_beta   76.794
_cell_angle_gamma   76.395
_symmetry_Int_Tables_number   1
_cell_volume   549.579
_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  0.143  0.541  0.652  1.0
  K  K1  1  0.336  0.959  0.848  1.0
  K  K2  1  0.857  0.459  0.348  1.0
  K  K3  1  0.664  0.041  0.152  1.0
  H  H4  1  0.008  0.853  0.616  1.0
  H  H5  1  0.477  0.647  0.884  1.0
  H  H6  1  0.992  0.147  0.384  1.0
  H  H7  1  0.523  0.353  0.116  1.0
  Se  Se8  1  0.679  0.250  0.750  1.0
  Se  Se9  1  0.321  0.750  0.250  1.0
  I  I10  1  0.645  0.818  0.504  1.0
  I  I11  1  0.967  0.682  0.996  1.0
  I  I12  1  0.355  0.182  0.496  1.0
  I  I13  1  0.033  0.318  0.004  1.0
  O  O14  1  0.844  0.808  0.641  1.0
  O  O15  1  0.294  0.692  0.859  1.0
  O  O16  1  0.156  0.192  0.359  1.0
  O  O17  1  0.706  0.308  0.141  1.0
  O  O18  1  0.594  0.655  0.535  1.0
  O  O19  1  0.785  0.845  0.965  1.0
  O  O20  1  0.406  0.345  0.465  1.0
  O  O21  1  0.215  0.155  0.035  1.0
  O  O22  1  0.311  0.912  0.590  1.0
  O  O23  1  0.813  0.588  0.910  1.0
  O  O24  1  0.689  0.088  0.410  1.0
  O  O25  1  0.187  0.412  0.090  1.0
  O  O26  1  0.393  0.359  0.819  1.0
  O  O27  1  0.571  0.141  0.681  1.0
  O  O28  1  0.607  0.641  0.181  1.0
  O  O29  1  0.429  0.859  0.319  1.0
  O  O30  1  0.850  0.170  0.859  1.0
  O  O31  1  0.879  0.330  0.641  1.0
  O  O32  1  0.150  0.830  0.141  1.0
  O  O33  1  0.121  0.670  0.359  1.0
[/CIF]
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The material structure described by K2H2Se(O5I)2 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 9-coordinate geometry to one O(3), one O(4), two equivalent O(1), two equivalent O(5), and three equivalent O(2) atoms. H(1) is bonded in a single-bond geometry to one O(1) and one O(3) atom. Se(1) is bonded in a tetrahedral geometry to two equivalent O(4) and two equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(2) is bonded in a 4-coordinate geometry to three equivalent K(1) and one I(1) atom. In the second O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one H(1), and one I(1) atom. In the third O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one Se(1), and one I(1) atom. In the fourth O site, O(5) is bonded in a distorted single-bond geometry to two equivalent K(1) and one Se(1) atom. In the fifth O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1), one H(1), and one I(1) atom. I(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. is represented by the CIF card [CIF]
data_K2H2Se(IO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.000
_cell_length_b   10.628
_cell_length_c   10.943
_cell_angle_alpha   84.292
_cell_angle_beta   76.794
_cell_angle_gamma   76.395
_symmetry_Int_Tables_number   1
_cell_volume   549.579
_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  0.143  0.541  0.652  1.0
  K  K1  1  0.336  0.959  0.848  1.0
  K  K2  1  0.857  0.459  0.348  1.0
  K  K3  1  0.664  0.041  0.152  1.0
  H  H4  1  0.008  0.853  0.616  1.0
  H  H5  1  0.477  0.647  0.884  1.0
  H  H6  1  0.992  0.147  0.384  1.0
  H  H7  1  0.523  0.353  0.116  1.0
  Se  Se8  1  0.679  0.250  0.750  1.0
  Se  Se9  1  0.321  0.750  0.250  1.0
  I  I10  1  0.645  0.818  0.504  1.0
  I  I11  1  0.967  0.682  0.996  1.0
  I  I12  1  0.355  0.182  0.496  1.0
  I  I13  1  0.033  0.318  0.004  1.0
  O  O14  1  0.844  0.808  0.641  1.0
  O  O15  1  0.294  0.692  0.859  1.0
  O  O16  1  0.156  0.192  0.359  1.0
  O  O17  1  0.706  0.308  0.141  1.0
  O  O18  1  0.594  0.655  0.535  1.0
  O  O19  1  0.785  0.845  0.965  1.0
  O  O20  1  0.406  0.345  0.465  1.0
  O  O21  1  0.215  0.155  0.035  1.0
  O  O22  1  0.311  0.912  0.590  1.0
  O  O23  1  0.813  0.588  0.910  1.0
  O  O24  1  0.689  0.088  0.410  1.0
  O  O25  1  0.187  0.412  0.090  1.0
  O  O26  1  0.393  0.359  0.819  1.0
  O  O27  1  0.571  0.141  0.681  1.0
  O  O28  1  0.607  0.641  0.181  1.0
  O  O29  1  0.429  0.859  0.319  1.0
  O  O30  1  0.850  0.170  0.859  1.0
  O  O31  1  0.879  0.330  0.641  1.0
  O  O32  1  0.150  0.830  0.141  1.0
  O  O33  1  0.121  0.670  0.359  1.0
[/CIF]
.