The crystal structure described by K2Ho4Cu4S9 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 7-coordinate geometry to one S(4), two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded to one S(1), two equivalent S(5), and three equivalent S(3) atoms to form HoS6 octahedra that share  a cornercorner with one Ho(2)S6 octahedra, corners with two 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 0-36°. In the second Ho site, Ho(2) is bonded to one S(1), two equivalent S(2), and three equivalent S(4) atoms to form HoS6 octahedra that share  a cornercorner with one Ho(1)S6 octahedra, corners with four equivalent Cu(2)S4 tetrahedra, edges with four equivalent Ho(2)S6 octahedra, edges with two equivalent Cu(1)S4 tetrahedra, and edges with three equivalent Cu(2)S4 tetrahedra. The corner-sharing octahedral tilt angles are 36°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form CuS4 tetrahedra that share  a cornercorner with one Ho(1)S6 octahedra, corners with two equivalent Cu(1)S4 tetrahedra, corners with two equivalent Cu(2)S4 tetrahedra, edges with two equivalent Ho(1)S6 octahedra, and edges with two equivalent Ho(2)S6 octahedra. The corner-sharing octahedral tilt angles are 5°. In the second Cu site, Cu(2) is bonded to two equivalent S(2) and two equivalent S(4) atoms to form distorted CuS4 tetrahedra that share corners with four equivalent Ho(2)S6 octahedra, corners with two equivalent Cu(1)S4 tetrahedra, corners with two equivalent Cu(2)S4 tetrahedra, edges with three equivalent Ho(2)S6 octahedra, and  an edgeedge with one Cu(2)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 14-60°. There are five inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to two equivalent K(1), one Ho(1), one Ho(2), and two equivalent Cu(1) atoms. In the second S site, S(2) is bonded in a 7-coordinate geometry to two equivalent K(1), two equivalent Ho(2), one Cu(1), and two equivalent Cu(2) atoms. In the third S site, S(3) is bonded to two equivalent K(1), three equivalent Ho(1), and one Cu(1) atom to form distorted SK2Ho3Cu octahedra that share corners with two equivalent S(4)KHo3Cu2 octahedra and edges with four equivalent S(3)K2Ho3Cu octahedra. The corner-sharing octahedral tilt angles are 41°. In the fourth S site, S(4) is bonded to one K(1), three equivalent Ho(2), and two equivalent Cu(2) atoms to form distorted SKHo3Cu2 octahedra that share corners with two equivalent S(3)K2Ho3Cu octahedra and edges with four equivalent S(4)KHo3Cu2 octahedra. The corner-sharing octahedral tilt angles are 41°. In the fifth S site, S(5) is bonded in a square co-planar geometry to four equivalent Ho(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2Ho4Cu4S9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.140
_cell_length_b   7.140
_cell_length_c   15.851
_cell_angle_alpha   71.067
_cell_angle_beta   71.067
_cell_angle_gamma   32.033
_symmetry_Int_Tables_number   1
_cell_volume   403.495
_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  0.971  0.971  0.770  1.0
  K  K1  1  0.029  0.029  0.230  1.0
  Ho  Ho2  1  0.655  0.655  0.946  1.0
  Ho  Ho3  1  0.233  0.233  0.395  1.0
  Ho  Ho4  1  0.345  0.345  0.054  1.0
  Ho  Ho5  1  0.767  0.767  0.605  1.0
  Cu  Cu6  1  0.754  0.754  0.229  1.0
  Cu  Cu7  1  0.568  0.568  0.542  1.0
  Cu  Cu8  1  0.246  0.246  0.771  1.0
  Cu  Cu9  1  0.432  0.432  0.458  1.0
  S  S10  1  0.350  0.350  0.221  1.0
  S  S11  1  0.650  0.650  0.779  1.0
  S  S12  1  0.390  0.390  0.627  1.0
  S  S13  1  0.610  0.610  0.373  1.0
  S  S14  1  0.700  0.700  0.103  1.0
  S  S15  1  0.139  0.139  0.576  1.0
  S  S16  1  0.000  0.000  0.000  1.0
  S  S17  1  0.300  0.300  0.897  1.0
  S  S18  1  0.861  0.861  0.424  1.0
[/CIF]
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The crystal structure described by K2Ho4Cu4S9 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 7-coordinate geometry to one S(4), two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded to one S(1), two equivalent S(5), and three equivalent S(3) atoms to form HoS6 octahedra that share  a cornercorner with one Ho(2)S6 octahedra, corners with two 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 0-36°. In the second Ho site, Ho(2) is bonded to one S(1), two equivalent S(2), and three equivalent S(4) atoms to form HoS6 octahedra that share  a cornercorner with one Ho(1)S6 octahedra, corners with four equivalent Cu(2)S4 tetrahedra, edges with four equivalent Ho(2)S6 octahedra, edges with two equivalent Cu(1)S4 tetrahedra, and edges with three equivalent Cu(2)S4 tetrahedra. The corner-sharing octahedral tilt angles are 36°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form CuS4 tetrahedra that share  a cornercorner with one Ho(1)S6 octahedra, corners with two equivalent Cu(1)S4 tetrahedra, corners with two equivalent Cu(2)S4 tetrahedra, edges with two equivalent Ho(1)S6 octahedra, and edges with two equivalent Ho(2)S6 octahedra. The corner-sharing octahedral tilt angles are 5°. In the second Cu site, Cu(2) is bonded to two equivalent S(2) and two equivalent S(4) atoms to form distorted CuS4 tetrahedra that share corners with four equivalent Ho(2)S6 octahedra, corners with two equivalent Cu(1)S4 tetrahedra, corners with two equivalent Cu(2)S4 tetrahedra, edges with three equivalent Ho(2)S6 octahedra, and  an edgeedge with one Cu(2)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 14-60°. There are five inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to two equivalent K(1), one Ho(1), one Ho(2), and two equivalent Cu(1) atoms. In the second S site, S(2) is bonded in a 7-coordinate geometry to two equivalent K(1), two equivalent Ho(2), one Cu(1), and two equivalent Cu(2) atoms. In the third S site, S(3) is bonded to two equivalent K(1), three equivalent Ho(1), and one Cu(1) atom to form distorted SK2Ho3Cu octahedra that share corners with two equivalent S(4)KHo3Cu2 octahedra and edges with four equivalent S(3)K2Ho3Cu octahedra. The corner-sharing octahedral tilt angles are 41°. In the fourth S site, S(4) is bonded to one K(1), three equivalent Ho(2), and two equivalent Cu(2) atoms to form distorted SKHo3Cu2 octahedra that share corners with two equivalent S(3)K2Ho3Cu octahedra and edges with four equivalent S(4)KHo3Cu2 octahedra. The corner-sharing octahedral tilt angles are 41°. In the fifth S site, S(5) is bonded in a square co-planar geometry to four equivalent Ho(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2Ho4Cu4S9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.140
_cell_length_b   7.140
_cell_length_c   15.851
_cell_angle_alpha   71.067
_cell_angle_beta   71.067
_cell_angle_gamma   32.033
_symmetry_Int_Tables_number   1
_cell_volume   403.495
_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  0.971  0.971  0.770  1.0
  K  K1  1  0.029  0.029  0.230  1.0
  Ho  Ho2  1  0.655  0.655  0.946  1.0
  Ho  Ho3  1  0.233  0.233  0.395  1.0
  Ho  Ho4  1  0.345  0.345  0.054  1.0
  Ho  Ho5  1  0.767  0.767  0.605  1.0
  Cu  Cu6  1  0.754  0.754  0.229  1.0
  Cu  Cu7  1  0.568  0.568  0.542  1.0
  Cu  Cu8  1  0.246  0.246  0.771  1.0
  Cu  Cu9  1  0.432  0.432  0.458  1.0
  S  S10  1  0.350  0.350  0.221  1.0
  S  S11  1  0.650  0.650  0.779  1.0
  S  S12  1  0.390  0.390  0.627  1.0
  S  S13  1  0.610  0.610  0.373  1.0
  S  S14  1  0.700  0.700  0.103  1.0
  S  S15  1  0.139  0.139  0.576  1.0
  S  S16  1  0.000  0.000  0.000  1.0
  S  S17  1  0.300  0.300  0.897  1.0
  S  S18  1  0.861  0.861  0.424  1.0
[/CIF]
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