The crystal structure described by K3Cu2H7 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a distorted q6 geometry to four equivalent H(1) and five equivalent H(3) atoms. In the second K site, K(2) is bonded to four equivalent H(2) and eight equivalent H(1) atoms to form KH12 cuboctahedra that share corners with four equivalent K(2)H12 cuboctahedra, faces with four equivalent K(2)H12 cuboctahedra, and faces with eight equivalent Cu(1)H6 octahedra. Cu(1) is bonded to one H(2), one H(3), and four equivalent H(1) atoms to form CuH6 octahedra that share corners with five equivalent Cu(1)H6 octahedra and faces with four equivalent K(2)H12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are four inequivalent H sites. In the first H site, H(1) is bonded to two equivalent K(1), two equivalent K(2), and two equivalent Cu(1) atoms to form HK4Cu2 octahedra that share corners with four equivalent H(2)K4Cu2 octahedra, corners with six equivalent H(3)K5Cu octahedra, corners with eight equivalent H(1)K4Cu2 octahedra, edges with three equivalent H(1)K4Cu2 octahedra, faces with two equivalent H(2)K4Cu2 octahedra, faces with two equivalent H(3)K5Cu octahedra, and faces with four equivalent H(1)K4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the second H site, H(2) is bonded to four equivalent K(2) and two equivalent Cu(1) atoms to form HK4Cu2 octahedra that share corners with two equivalent H(3)K5Cu octahedra, corners with four equivalent H(2)K4Cu2 octahedra, corners with sixteen equivalent H(1)K4Cu2 octahedra, edges with four equivalent H(2)K4Cu2 octahedra, and faces with eight equivalent H(1)K4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-59°. In the third H site, H(3) is bonded to five equivalent K(1) and one Cu(1) atom to form distorted HK5Cu octahedra that share  a cornercorner with one H(2)K4Cu2 octahedra, corners with four equivalent H(3)K5Cu octahedra, corners with twelve equivalent H(1)K4Cu2 octahedra, edges with eight equivalent H(3)K5Cu octahedra, and faces with four equivalent H(1)K4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the fourth H site, H(2) is bonded to four equivalent K(2) and two equivalent Cu(1) atoms to form HK4Cu2 octahedra that share corners with two equivalent H(3)K5Cu octahedra, corners with four equivalent H(2)K4Cu2 octahedra, corners with sixteen equivalent H(1)K4Cu2 octahedra, edges with four equivalent H(2)K4Cu2 octahedra, and faces with eight equivalent H(1)K4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-59°. is represented by the CIF file [CIF]
data_K3Cu2H7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.437
_cell_length_b   10.437
_cell_length_c   10.437
_cell_angle_alpha   159.157
_cell_angle_beta   159.157
_cell_angle_gamma   29.643
_symmetry_Int_Tables_number   1
_cell_volume   143.833
_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  0.318  0.318  0.000  1.0
  K  K1  1  0.682  0.682  0.000  1.0
  K  K2  1  0.500  0.500  0.000  1.0
  Cu  Cu3  1  0.092  0.092  0.000  1.0
  Cu  Cu4  1  0.908  0.908  0.000  1.0
  H  H5  1  0.910  0.410  0.500  1.0
  H  H6  1  0.410  0.910  0.500  1.0
  H  H7  1  0.090  0.590  0.500  1.0
  H  H8  1  0.590  0.090  0.500  1.0
  H  H9  1  0.000  0.000  0.000  1.0
  H  H10  1  0.176  0.176  0.000  1.0
  H  H11  1  0.824  0.824  0.000  1.0
[/CIF]
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The crystal structure described by K3Cu2H7 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a distorted q6 geometry to four equivalent H(1) and five equivalent H(3) atoms. In the second K site, K(2) is bonded to four equivalent H(2) and eight equivalent H(1) atoms to form KH12 cuboctahedra that share corners with four equivalent K(2)H12 cuboctahedra, faces with four equivalent K(2)H12 cuboctahedra, and faces with eight equivalent Cu(1)H6 octahedra. Cu(1) is bonded to one H(2), one H(3), and four equivalent H(1) atoms to form CuH6 octahedra that share corners with five equivalent Cu(1)H6 octahedra and faces with four equivalent K(2)H12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are four inequivalent H sites. In the first H site, H(1) is bonded to two equivalent K(1), two equivalent K(2), and two equivalent Cu(1) atoms to form HK4Cu2 octahedra that share corners with four equivalent H(2)K4Cu2 octahedra, corners with six equivalent H(3)K5Cu octahedra, corners with eight equivalent H(1)K4Cu2 octahedra, edges with three equivalent H(1)K4Cu2 octahedra, faces with two equivalent H(2)K4Cu2 octahedra, faces with two equivalent H(3)K5Cu octahedra, and faces with four equivalent H(1)K4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the second H site, H(2) is bonded to four equivalent K(2) and two equivalent Cu(1) atoms to form HK4Cu2 octahedra that share corners with two equivalent H(3)K5Cu octahedra, corners with four equivalent H(2)K4Cu2 octahedra, corners with sixteen equivalent H(1)K4Cu2 octahedra, edges with four equivalent H(2)K4Cu2 octahedra, and faces with eight equivalent H(1)K4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-59°. In the third H site, H(3) is bonded to five equivalent K(1) and one Cu(1) atom to form distorted HK5Cu octahedra that share  a cornercorner with one H(2)K4Cu2 octahedra, corners with four equivalent H(3)K5Cu octahedra, corners with twelve equivalent H(1)K4Cu2 octahedra, edges with eight equivalent H(3)K5Cu octahedra, and faces with four equivalent H(1)K4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the fourth H site, H(2) is bonded to four equivalent K(2) and two equivalent Cu(1) atoms to form HK4Cu2 octahedra that share corners with two equivalent H(3)K5Cu octahedra, corners with four equivalent H(2)K4Cu2 octahedra, corners with sixteen equivalent H(1)K4Cu2 octahedra, edges with four equivalent H(2)K4Cu2 octahedra, and faces with eight equivalent H(1)K4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-59°. is represented by the CIF file [CIF]
data_K3Cu2H7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.437
_cell_length_b   10.437
_cell_length_c   10.437
_cell_angle_alpha   159.157
_cell_angle_beta   159.157
_cell_angle_gamma   29.643
_symmetry_Int_Tables_number   1
_cell_volume   143.833
_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  0.318  0.318  0.000  1.0
  K  K1  1  0.682  0.682  0.000  1.0
  K  K2  1  0.500  0.500  0.000  1.0
  Cu  Cu3  1  0.092  0.092  0.000  1.0
  Cu  Cu4  1  0.908  0.908  0.000  1.0
  H  H5  1  0.910  0.410  0.500  1.0
  H  H6  1  0.410  0.910  0.500  1.0
  H  H7  1  0.090  0.590  0.500  1.0
  H  H8  1  0.590  0.090  0.500  1.0
  H  H9  1  0.000  0.000  0.000  1.0
  H  H10  1  0.176  0.176  0.000  1.0
  H  H11  1  0.824  0.824  0.000  1.0
[/CIF]
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