The structure described by KHo2CuS4 crystallizes in the orthorhombic Cmcm space group. K(1) is bonded in a 6-coordinate geometry to two equivalent S(3) and four equivalent S(2) atoms. Ho(1) is bonded to one S(3), two equivalent S(1), and three equivalent S(2) atoms to form HoS6 octahedra that share corners with three equivalent Ho(1)S6 octahedra,  a cornercorner with one Cu(1)S4 tetrahedra, edges with five equivalent Ho(1)S6 octahedra, and edges with two equivalent Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 0-38°. Cu(1) is bonded to two equivalent S(2) and two equivalent S(3) atoms to form CuS4 tetrahedra that share corners with two equivalent Ho(1)S6 octahedra, corners with two equivalent Cu(1)S4 tetrahedra, and edges with four equivalent Ho(1)S6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted square co-planar geometry to four equivalent Ho(1) atoms. In the second S site, S(2) is bonded to two equivalent K(1), three equivalent Ho(1), and one Cu(1) atom to form a mixture of distorted face, corner, and edge-sharing SK2Ho3Cu octahedra. The corner-sharing octahedral tilt angles are 64°. In the third S site, S(3) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent Ho(1), and two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_KHo2CuS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.977
_cell_length_b   6.977
_cell_length_c   13.620
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   147.323
_symmetry_Int_Tables_number   1
_cell_volume   357.952
_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  0.110  0.890  0.250  1.0
  K  K1  1  0.890  0.110  0.750  1.0
  Ho  Ho2  1  0.634  0.366  0.937  1.0
  Ho  Ho3  1  0.366  0.634  0.437  1.0
  Ho  Ho4  1  0.634  0.366  0.563  1.0
  Ho  Ho5  1  0.366  0.634  0.063  1.0
  Cu  Cu6  1  0.163  0.837  0.750  1.0
  Cu  Cu7  1  0.837  0.163  0.250  1.0
  S  S8  1  0.000  0.000  0.500  1.0
  S  S9  1  0.000  0.000  0.000  1.0
  S  S10  1  0.737  0.263  0.111  1.0
  S  S11  1  0.263  0.737  0.889  1.0
  S  S12  1  0.569  0.431  0.750  1.0
  S  S13  1  0.737  0.263  0.389  1.0
  S  S14  1  0.431  0.569  0.250  1.0
  S  S15  1  0.263  0.737  0.611  1.0
[/CIF]
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The structure described by KHo2CuS4 crystallizes in the orthorhombic Cmcm space group. K(1) is bonded in a 6-coordinate geometry to two equivalent S(3) and four equivalent S(2) atoms. Ho(1) is bonded to one S(3), two equivalent S(1), and three equivalent S(2) atoms to form HoS6 octahedra that share corners with three equivalent Ho(1)S6 octahedra,  a cornercorner with one Cu(1)S4 tetrahedra, edges with five equivalent Ho(1)S6 octahedra, and edges with two equivalent Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 0-38°. Cu(1) is bonded to two equivalent S(2) and two equivalent S(3) atoms to form CuS4 tetrahedra that share corners with two equivalent Ho(1)S6 octahedra, corners with two equivalent Cu(1)S4 tetrahedra, and edges with four equivalent Ho(1)S6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted square co-planar geometry to four equivalent Ho(1) atoms. In the second S site, S(2) is bonded to two equivalent K(1), three equivalent Ho(1), and one Cu(1) atom to form a mixture of distorted face, corner, and edge-sharing SK2Ho3Cu octahedra. The corner-sharing octahedral tilt angles are 64°. In the third S site, S(3) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent Ho(1), and two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_KHo2CuS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.977
_cell_length_b   6.977
_cell_length_c   13.620
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   147.323
_symmetry_Int_Tables_number   1
_cell_volume   357.952
_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  0.110  0.890  0.250  1.0
  K  K1  1  0.890  0.110  0.750  1.0
  Ho  Ho2  1  0.634  0.366  0.937  1.0
  Ho  Ho3  1  0.366  0.634  0.437  1.0
  Ho  Ho4  1  0.634  0.366  0.563  1.0
  Ho  Ho5  1  0.366  0.634  0.063  1.0
  Cu  Cu6  1  0.163  0.837  0.750  1.0
  Cu  Cu7  1  0.837  0.163  0.250  1.0
  S  S8  1  0.000  0.000  0.500  1.0
  S  S9  1  0.000  0.000  0.000  1.0
  S  S10  1  0.737  0.263  0.111  1.0
  S  S11  1  0.263  0.737  0.889  1.0
  S  S12  1  0.569  0.431  0.750  1.0
  S  S13  1  0.737  0.263  0.389  1.0
  S  S14  1  0.431  0.569  0.250  1.0
  S  S15  1  0.263  0.737  0.611  1.0
[/CIF]
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