The crystal structure described by KCu2H2(SO5)2 crystallizes in the monoclinic C2/m space group. K(1) is bonded to two equivalent O(1), two equivalent O(4), and four equivalent O(2) atoms to form distorted KO8 hexagonal bipyramids that share corners with four equivalent S(1)O4 tetrahedra, edges with four equivalent Cu(1)O6 octahedra, and edges with two equivalent S(1)O4 tetrahedra. Cu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CuO6 octahedra that share corners with four equivalent S(1)O4 tetrahedra, edges with two equivalent K(1)O8 hexagonal bipyramids, and edges with two equivalent Cu(1)O6 octahedra. H(1) is bonded in a single-bond geometry to one O(3) atom. S(1) is bonded to one O(1), one O(4), and two equivalent O(2) atoms to form SO4 tetrahedra that share corners with two equivalent K(1)O8 hexagonal bipyramids, corners with four equivalent Cu(1)O6 octahedra, and  an edgeedge with one K(1)O8 hexagonal bipyramid. The corner-sharing octahedral tilt angles range from 42-50°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one K(1), two equivalent Cu(1), and one S(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Cu(1), and one S(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cu(1) and one H(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one K(1) and one S(1) atom. is represented by the CIF file [CIF]
data_KCu2H2(SO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.632
_cell_length_b   5.632
_cell_length_c   8.030
_cell_angle_alpha   65.773
_cell_angle_beta   65.773
_cell_angle_gamma   68.389
_symmetry_Int_Tables_number   1
_cell_volume   205.637
_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  0.695  0.695  0.811  1.0
  H  H4  1  0.305  0.305  0.189  1.0
  S  S5  1  0.925  0.925  0.283  1.0
  S  S6  1  0.075  0.075  0.717  1.0
  O  O7  1  0.824  0.824  0.187  1.0
  O  O8  1  0.165  0.771  0.774  1.0
  O  O9  1  0.229  0.835  0.226  1.0
  O  O10  1  0.670  0.670  0.946  1.0
  O  O11  1  0.821  0.821  0.491  1.0
  O  O12  1  0.179  0.179  0.509  1.0
  O  O13  1  0.330  0.330  0.054  1.0
  O  O14  1  0.771  0.165  0.774  1.0
  O  O15  1  0.835  0.229  0.226  1.0
  O  O16  1  0.176  0.176  0.813  1.0
[/CIF]
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The crystal structure described by KCu2H2(SO5)2 crystallizes in the monoclinic C2/m space group. K(1) is bonded to two equivalent O(1), two equivalent O(4), and four equivalent O(2) atoms to form distorted KO8 hexagonal bipyramids that share corners with four equivalent S(1)O4 tetrahedra, edges with four equivalent Cu(1)O6 octahedra, and edges with two equivalent S(1)O4 tetrahedra. Cu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CuO6 octahedra that share corners with four equivalent S(1)O4 tetrahedra, edges with two equivalent K(1)O8 hexagonal bipyramids, and edges with two equivalent Cu(1)O6 octahedra. H(1) is bonded in a single-bond geometry to one O(3) atom. S(1) is bonded to one O(1), one O(4), and two equivalent O(2) atoms to form SO4 tetrahedra that share corners with two equivalent K(1)O8 hexagonal bipyramids, corners with four equivalent Cu(1)O6 octahedra, and  an edgeedge with one K(1)O8 hexagonal bipyramid. The corner-sharing octahedral tilt angles range from 42-50°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one K(1), two equivalent Cu(1), and one S(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Cu(1), and one S(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cu(1) and one H(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one K(1) and one S(1) atom. is represented by the CIF file [CIF]
data_KCu2H2(SO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.632
_cell_length_b   5.632
_cell_length_c   8.030
_cell_angle_alpha   65.773
_cell_angle_beta   65.773
_cell_angle_gamma   68.389
_symmetry_Int_Tables_number   1
_cell_volume   205.637
_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  0.695  0.695  0.811  1.0
  H  H4  1  0.305  0.305  0.189  1.0
  S  S5  1  0.925  0.925  0.283  1.0
  S  S6  1  0.075  0.075  0.717  1.0
  O  O7  1  0.824  0.824  0.187  1.0
  O  O8  1  0.165  0.771  0.774  1.0
  O  O9  1  0.229  0.835  0.226  1.0
  O  O10  1  0.670  0.670  0.946  1.0
  O  O11  1  0.821  0.821  0.491  1.0
  O  O12  1  0.179  0.179  0.509  1.0
  O  O13  1  0.330  0.330  0.054  1.0
  O  O14  1  0.771  0.165  0.774  1.0
  O  O15  1  0.835  0.229  0.226  1.0
  O  O16  1  0.176  0.176  0.813  1.0
[/CIF]
.