The material described by K2CuH4 crystallizes in the tetragonal I4/mmm space group. K(1) is bonded in a 9-coordinate geometry to four equivalent H(2) and five equivalent H(1) atoms. Cu(1) is bonded to two equivalent H(1) and four equivalent H(2) atoms to form corner-sharing CuH6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to five equivalent K(1) and one Cu(1) atom. In the second H site, H(2) is bonded to four equivalent K(1) and two equivalent Cu(1) atoms to form a mixture of edge, face, and corner-sharing HK4Cu2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_K2CuH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.136
_cell_length_b   7.136
_cell_length_c   7.136
_cell_angle_alpha   148.428
_cell_angle_beta   148.428
_cell_angle_gamma   45.254
_symmetry_Int_Tables_number   1
_cell_volume   99.310
_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  0.362  0.362  0.000  1.0
  K  K1  1  0.638  0.638  0.000  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  H  H3  1  0.126  0.126  0.000  1.0
  H  H4  1  0.000  0.500  0.500  1.0
  H  H5  1  0.874  0.874  0.000  1.0
  H  H6  1  0.500  0.000  0.500  1.0
[/CIF]
.
The material described by K2CuH4 crystallizes in the tetragonal I4/mmm space group. K(1) is bonded in a 9-coordinate geometry to four equivalent H(2) and five equivalent H(1) atoms. Cu(1) is bonded to two equivalent H(1) and four equivalent H(2) atoms to form corner-sharing CuH6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to five equivalent K(1) and one Cu(1) atom. In the second H site, H(2) is bonded to four equivalent K(1) and two equivalent Cu(1) atoms to form a mixture of edge, face, and corner-sharing HK4Cu2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_K2CuH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.136
_cell_length_b   7.136
_cell_length_c   7.136
_cell_angle_alpha   148.428
_cell_angle_beta   148.428
_cell_angle_gamma   45.254
_symmetry_Int_Tables_number   1
_cell_volume   99.310
_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  0.362  0.362  0.000  1.0
  K  K1  1  0.638  0.638  0.000  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  H  H3  1  0.126  0.126  0.000  1.0
  H  H4  1  0.000  0.500  0.500  1.0
  H  H5  1  0.874  0.874  0.000  1.0
  H  H6  1  0.500  0.000  0.500  1.0
[/CIF]
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