The material structure described by KCu2H2(SeO5)2 crystallizes in the monoclinic C2/m space group. K(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form KO6 octahedra that share corners with six equivalent Se(1)O4 tetrahedra. Cu(1) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent O(4) atoms. H(1) is bonded in a single-bond geometry to one O(2) atom. Se(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form SeO4 tetrahedra that share corners with three equivalent K(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one K(1) and one Se(1) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one H(1) and one Se(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one K(1), one Cu(1), and one Se(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to two equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KCu2H2(SeO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.557
_cell_length_b   6.557
_cell_length_c   8.718
_cell_angle_alpha   58.424
_cell_angle_beta   58.424
_cell_angle_gamma   60.812
_symmetry_Int_Tables_number   1
_cell_volume   260.023
_cell_formula_units_Z   1
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  0.500  0.500  0.500  1.0
  Cu  Cu1  1  0.000  0.500  0.000  1.0
  Cu  Cu2  1  0.500  0.000  0.000  1.0
  H  H3  1  0.704  0.704  0.625  1.0
  H  H4  1  0.296  0.296  0.375  1.0
  Se  Se5  1  0.081  0.081  0.694  1.0
  Se  Se6  1  0.919  0.919  0.306  1.0
  O  O7  1  0.194  0.194  0.753  1.0
  O  O8  1  0.806  0.806  0.247  1.0
  O  O9  1  0.189  0.189  0.435  1.0
  O  O10  1  0.811  0.811  0.565  1.0
  O  O11  1  0.770  0.195  0.752  1.0
  O  O12  1  0.195  0.770  0.752  1.0
  O  O13  1  0.230  0.805  0.248  1.0
  O  O14  1  0.805  0.230  0.248  1.0
  O  O15  1  0.699  0.699  0.991  1.0
  O  O16  1  0.301  0.301  0.009  1.0
[/CIF]
.
The material structure described by KCu2H2(SeO5)2 crystallizes in the monoclinic C2/m space group. K(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form KO6 octahedra that share corners with six equivalent Se(1)O4 tetrahedra. Cu(1) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent O(4) atoms. H(1) is bonded in a single-bond geometry to one O(2) atom. Se(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form SeO4 tetrahedra that share corners with three equivalent K(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one K(1) and one Se(1) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one H(1) and one Se(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one K(1), one Cu(1), and one Se(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to two equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KCu2H2(SeO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.557
_cell_length_b   6.557
_cell_length_c   8.718
_cell_angle_alpha   58.424
_cell_angle_beta   58.424
_cell_angle_gamma   60.812
_symmetry_Int_Tables_number   1
_cell_volume   260.023
_cell_formula_units_Z   1
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  0.500  0.500  0.500  1.0
  Cu  Cu1  1  0.000  0.500  0.000  1.0
  Cu  Cu2  1  0.500  0.000  0.000  1.0
  H  H3  1  0.704  0.704  0.625  1.0
  H  H4  1  0.296  0.296  0.375  1.0
  Se  Se5  1  0.081  0.081  0.694  1.0
  Se  Se6  1  0.919  0.919  0.306  1.0
  O  O7  1  0.194  0.194  0.753  1.0
  O  O8  1  0.806  0.806  0.247  1.0
  O  O9  1  0.189  0.189  0.435  1.0
  O  O10  1  0.811  0.811  0.565  1.0
  O  O11  1  0.770  0.195  0.752  1.0
  O  O12  1  0.195  0.770  0.752  1.0
  O  O13  1  0.230  0.805  0.248  1.0
  O  O14  1  0.805  0.230  0.248  1.0
  O  O15  1  0.699  0.699  0.991  1.0
  O  O16  1  0.301  0.301  0.009  1.0
[/CIF]
.