The structure described by KCuH3 crystallizes in the tetragonal I4/mcm space group. K(1) is bonded to four equivalent H(2) and eight equivalent H(1) atoms to form a mixture of corner and face-sharing KH12 cuboctahedra. Cu(1) is bonded in a square co-planar geometry to two equivalent H(1) and two equivalent H(2) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to four equivalent K(1) and one Cu(1) atom. In the second H site, H(2) is bonded in a linear geometry to four equivalent K(1) and two equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KCuH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.371
_cell_length_b   5.371
_cell_length_c   5.371
_cell_angle_alpha   114.422
_cell_angle_beta   114.422
_cell_angle_gamma   99.967
_symmetry_Int_Tables_number   1
_cell_volume   116.903
_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  0.750  0.750  0.000  1.0
  K  K1  1  0.250  0.250  0.000  1.0
  Cu  Cu2  1  0.500  0.000  0.500  1.0
  Cu  Cu3  1  0.000  0.500  0.500  1.0
  H  H4  1  0.811  0.311  0.121  1.0
  H  H5  1  0.750  0.250  0.500  1.0
  H  H6  1  0.689  0.811  0.500  1.0
  H  H7  1  0.250  0.750  0.500  1.0
  H  H8  1  0.311  0.189  0.500  1.0
  H  H9  1  0.189  0.689  0.879  1.0
[/CIF]
.
The structure described by KCuH3 crystallizes in the tetragonal I4/mcm space group. K(1) is bonded to four equivalent H(2) and eight equivalent H(1) atoms to form a mixture of corner and face-sharing KH12 cuboctahedra. Cu(1) is bonded in a square co-planar geometry to two equivalent H(1) and two equivalent H(2) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to four equivalent K(1) and one Cu(1) atom. In the second H site, H(2) is bonded in a linear geometry to four equivalent K(1) and two equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KCuH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.371
_cell_length_b   5.371
_cell_length_c   5.371
_cell_angle_alpha   114.422
_cell_angle_beta   114.422
_cell_angle_gamma   99.967
_symmetry_Int_Tables_number   1
_cell_volume   116.903
_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  0.750  0.750  0.000  1.0
  K  K1  1  0.250  0.250  0.000  1.0
  Cu  Cu2  1  0.500  0.000  0.500  1.0
  Cu  Cu3  1  0.000  0.500  0.500  1.0
  H  H4  1  0.811  0.311  0.121  1.0
  H  H5  1  0.750  0.250  0.500  1.0
  H  H6  1  0.689  0.811  0.500  1.0
  H  H7  1  0.250  0.750  0.500  1.0
  H  H8  1  0.311  0.189  0.500  1.0
  H  H9  1  0.189  0.689  0.879  1.0
[/CIF]
.