The compound described by K2Ho4Cu4S9 crystallizes in the triclinic P1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one S(6), two equivalent S(2), two equivalent S(3), and two equivalent S(8) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one S(9), two equivalent S(1), two equivalent S(4), and two equivalent S(5) atoms. There are four inequivalent Ho sites. In the first Ho site, Ho(1) is bonded to one S(2), one S(5), two equivalent S(7), and two equivalent S(8) atoms to form HoS6 octahedra that share  a cornercorner with one Ho(4)S6 octahedra, corners with two equivalent Ho(3)S6 octahedra,  a cornercorner with one Cu(1)S4 tetrahedra, edges with two equivalent Ho(1)S6 octahedra, edges with three equivalent Ho(3)S6 octahedra, and edges with two equivalent Cu(3)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 0-35°. In the second Ho site, Ho(2) is bonded to one S(1), one S(6), two equivalent S(4), and two equivalent S(9) atoms to form HoS6 octahedra that share  a cornercorner with one Ho(3)S6 octahedra, corners with four equivalent Cu(4)S4 tetrahedra, edges with two equivalent Ho(2)S6 octahedra, edges with two equivalent Ho(4)S6 octahedra,  an edgeedge with one Cu(4)S4 tetrahedra, edges with two equivalent Cu(1)S4 tetrahedra, and edges with two equivalent Cu(2)S4 tetrahedra. The corner-sharing octahedral tilt angles are 36°. In the third Ho site, Ho(3) is bonded to one S(1), one S(8), two equivalent S(5), and two equivalent S(7) 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(3)S4 tetrahedra, edges with two equivalent Ho(3)S6 octahedra, edges with three 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 fourth Ho site, Ho(4) is bonded to one S(2), one S(9), two equivalent S(3), and two equivalent S(6) 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 two equivalent Ho(2)S6 octahedra, edges with two equivalent Ho(4)S6 octahedra,  an edgeedge with one Cu(2)S4 tetrahedra, edges with two equivalent Cu(3)S4 tetrahedra, and edges with two equivalent Cu(4)S4 tetrahedra. The corner-sharing octahedral tilt angles are 35°. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(4), one S(5), and two equivalent S(1) atoms to form CuS4 tetrahedra that share  a cornercorner with one Ho(1)S6 octahedra,  a cornercorner with one Cu(2)S4 tetrahedra,  a cornercorner with one Cu(4)S4 tetrahedra, corners with two equivalent Cu(1)S4 tetrahedra, edges with two equivalent Ho(2)S6 octahedra, and edges with two equivalent Ho(3)S6 octahedra. The corner-sharing octahedral tilt angles are 4°. In the second Cu site, Cu(2) is bonded to one S(3), one S(4), and two equivalent S(6) atoms to form distorted CuS4 tetrahedra that share corners with four equivalent Ho(4)S6 octahedra,  a cornercorner with one Cu(1)S4 tetrahedra,  a cornercorner with one Cu(3)S4 tetrahedra, corners with two equivalent Cu(2)S4 tetrahedra,  an edgeedge with one Ho(4)S6 octahedra, edges with two equivalent Ho(2)S6 octahedra, and  an edgeedge with one Cu(4)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-60°. In the third Cu site, Cu(3) is bonded to one S(3), one S(8), and two equivalent S(2) atoms to form CuS4 tetrahedra that share  a cornercorner with one Ho(3)S6 octahedra,  a cornercorner with one Cu(2)S4 tetrahedra,  a cornercorner with one Cu(4)S4 tetrahedra, corners with two equivalent Cu(3)S4 tetrahedra, edges with two equivalent Ho(1)S6 octahedra, and edges with two equivalent Ho(4)S6 octahedra. The corner-sharing octahedral tilt angles are 3°. In the fourth Cu site, Cu(4) is bonded to one S(3), one S(4), and two equivalent S(9) atoms to form distorted CuS4 tetrahedra that share corners with four equivalent Ho(2)S6 octahedra,  a cornercorner with one Cu(1)S4 tetrahedra,  a cornercorner with one Cu(3)S4 tetrahedra, corners with two equivalent Cu(4)S4 tetrahedra,  an edgeedge with one Ho(2)S6 octahedra, edges with two equivalent Ho(4)S6 octahedra, and  an edgeedge with one Cu(2)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-61°. There are nine inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to two equivalent K(2), one Ho(2), one Ho(3), and two equivalent Cu(1) atoms. In the second S site, S(2) is bonded in a 6-coordinate geometry to two equivalent K(1), one Ho(1), one Ho(4), and two equivalent Cu(3) atoms. In the third S site, S(3) is bonded in a 7-coordinate geometry to two equivalent K(1), two equivalent Ho(4), one Cu(2), one Cu(3), and one Cu(4) atom. In the fourth S site, S(4) is bonded in a 7-coordinate geometry to two equivalent K(2), two equivalent Ho(2), one Cu(1), one Cu(2), and one Cu(4) atom. In the fifth S site, S(5) is bonded to two equivalent K(2), one Ho(1), two equivalent Ho(3), and one Cu(1) atom to form distorted SK2Ho3Cu octahedra that share corners with two equivalent S(9)KHo3Cu2 octahedra, edges with two equivalent S(5)K2Ho3Cu octahedra, and edges with two equivalent S(8)K2Ho3Cu octahedra. The corner-sharing octahedral tilt angles range from 41-42°. In the sixth S site, S(6) is bonded to one K(1), one Ho(2), two equivalent Ho(4), and two equivalent Cu(2) atoms to form distorted SKHo3Cu2 octahedra that share corners with two equivalent S(8)K2Ho3Cu octahedra, edges with two equivalent S(6)KHo3Cu2 octahedra, and edges with two equivalent S(9)KHo3Cu2 octahedra. The corner-sharing octahedral tilt angles range from 40-41°. In the seventh S site, S(7) is bonded in a square co-planar geometry to two equivalent Ho(1) and two equivalent Ho(3) atoms. In the eighth S site, S(8) is bonded to two equivalent K(1), one Ho(3), two equivalent Ho(1), and one Cu(3) atom to form distorted SK2Ho3Cu octahedra that share corners with two equivalent S(6)KHo3Cu2 octahedra, edges with two equivalent S(5)K2Ho3Cu octahedra, and edges with two equivalent S(8)K2Ho3Cu octahedra. The corner-sharing octahedral tilt angles range from 40-41°. In the ninth S site, S(9) is bonded to one K(2), one Ho(4), two equivalent Ho(2), and two equivalent Cu(4) atoms to form distorted SKHo3Cu2 octahedra that share corners with two equivalent S(5)K2Ho3Cu octahedra, edges with two equivalent S(6)KHo3Cu2 octahedra, and edges with two equivalent S(9)KHo3Cu2 octahedra. The corner-sharing octahedral tilt angles range from 41-42°. is represented by the CIF file [CIF]
data_K2Ho4Cu4S9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.923
_cell_length_b   7.112
_cell_length_c   15.087
_cell_angle_alpha   93.565
_cell_angle_beta   97.403
_cell_angle_gamma   105.836
_symmetry_Int_Tables_number   1
_cell_volume   399.469
_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  0.736  0.706  0.769  1.0
  K  K1  1  0.251  0.286  0.228  1.0
  Ho  Ho2  1  0.607  0.251  0.944  1.0
  Ho  Ho3  1  0.628  0.859  0.394  1.0
  Ho  Ho4  1  0.398  0.743  0.055  1.0
  Ho  Ho5  1  0.372  0.136  0.604  1.0
  Cu  Cu6  1  0.987  0.734  0.230  1.0
  Cu  Cu7  1  0.111  0.681  0.544  1.0
  Cu  Cu8  1  0.016  0.266  0.769  1.0
  Cu  Cu9  1  0.884  0.318  0.459  1.0
  S  S10  1  0.569  0.921  0.221  1.0
  S  S11  1  0.432  0.077  0.777  1.0
  S  S12  1  0.012  0.406  0.627  1.0
  S  S13  1  0.985  0.591  0.372  1.0
  S  S14  1  0.800  0.502  0.102  1.0
  S  S15  1  0.712  0.850  0.575  1.0
  S  S16  1  0.007  0.998  1.000  1.0
  S  S17  1  0.203  0.492  0.898  1.0
  S  S18  1  0.282  0.147  0.424  1.0
[/CIF]
.
The compound described by K2Ho4Cu4S9 crystallizes in the triclinic P1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one S(6), two equivalent S(2), two equivalent S(3), and two equivalent S(8) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one S(9), two equivalent S(1), two equivalent S(4), and two equivalent S(5) atoms. There are four inequivalent Ho sites. In the first Ho site, Ho(1) is bonded to one S(2), one S(5), two equivalent S(7), and two equivalent S(8) atoms to form HoS6 octahedra that share  a cornercorner with one Ho(4)S6 octahedra, corners with two equivalent Ho(3)S6 octahedra,  a cornercorner with one Cu(1)S4 tetrahedra, edges with two equivalent Ho(1)S6 octahedra, edges with three equivalent Ho(3)S6 octahedra, and edges with two equivalent Cu(3)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 0-35°. In the second Ho site, Ho(2) is bonded to one S(1), one S(6), two equivalent S(4), and two equivalent S(9) atoms to form HoS6 octahedra that share  a cornercorner with one Ho(3)S6 octahedra, corners with four equivalent Cu(4)S4 tetrahedra, edges with two equivalent Ho(2)S6 octahedra, edges with two equivalent Ho(4)S6 octahedra,  an edgeedge with one Cu(4)S4 tetrahedra, edges with two equivalent Cu(1)S4 tetrahedra, and edges with two equivalent Cu(2)S4 tetrahedra. The corner-sharing octahedral tilt angles are 36°. In the third Ho site, Ho(3) is bonded to one S(1), one S(8), two equivalent S(5), and two equivalent S(7) 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(3)S4 tetrahedra, edges with two equivalent Ho(3)S6 octahedra, edges with three 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 fourth Ho site, Ho(4) is bonded to one S(2), one S(9), two equivalent S(3), and two equivalent S(6) 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 two equivalent Ho(2)S6 octahedra, edges with two equivalent Ho(4)S6 octahedra,  an edgeedge with one Cu(2)S4 tetrahedra, edges with two equivalent Cu(3)S4 tetrahedra, and edges with two equivalent Cu(4)S4 tetrahedra. The corner-sharing octahedral tilt angles are 35°. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(4), one S(5), and two equivalent S(1) atoms to form CuS4 tetrahedra that share  a cornercorner with one Ho(1)S6 octahedra,  a cornercorner with one Cu(2)S4 tetrahedra,  a cornercorner with one Cu(4)S4 tetrahedra, corners with two equivalent Cu(1)S4 tetrahedra, edges with two equivalent Ho(2)S6 octahedra, and edges with two equivalent Ho(3)S6 octahedra. The corner-sharing octahedral tilt angles are 4°. In the second Cu site, Cu(2) is bonded to one S(3), one S(4), and two equivalent S(6) atoms to form distorted CuS4 tetrahedra that share corners with four equivalent Ho(4)S6 octahedra,  a cornercorner with one Cu(1)S4 tetrahedra,  a cornercorner with one Cu(3)S4 tetrahedra, corners with two equivalent Cu(2)S4 tetrahedra,  an edgeedge with one Ho(4)S6 octahedra, edges with two equivalent Ho(2)S6 octahedra, and  an edgeedge with one Cu(4)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-60°. In the third Cu site, Cu(3) is bonded to one S(3), one S(8), and two equivalent S(2) atoms to form CuS4 tetrahedra that share  a cornercorner with one Ho(3)S6 octahedra,  a cornercorner with one Cu(2)S4 tetrahedra,  a cornercorner with one Cu(4)S4 tetrahedra, corners with two equivalent Cu(3)S4 tetrahedra, edges with two equivalent Ho(1)S6 octahedra, and edges with two equivalent Ho(4)S6 octahedra. The corner-sharing octahedral tilt angles are 3°. In the fourth Cu site, Cu(4) is bonded to one S(3), one S(4), and two equivalent S(9) atoms to form distorted CuS4 tetrahedra that share corners with four equivalent Ho(2)S6 octahedra,  a cornercorner with one Cu(1)S4 tetrahedra,  a cornercorner with one Cu(3)S4 tetrahedra, corners with two equivalent Cu(4)S4 tetrahedra,  an edgeedge with one Ho(2)S6 octahedra, edges with two equivalent Ho(4)S6 octahedra, and  an edgeedge with one Cu(2)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-61°. There are nine inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to two equivalent K(2), one Ho(2), one Ho(3), and two equivalent Cu(1) atoms. In the second S site, S(2) is bonded in a 6-coordinate geometry to two equivalent K(1), one Ho(1), one Ho(4), and two equivalent Cu(3) atoms. In the third S site, S(3) is bonded in a 7-coordinate geometry to two equivalent K(1), two equivalent Ho(4), one Cu(2), one Cu(3), and one Cu(4) atom. In the fourth S site, S(4) is bonded in a 7-coordinate geometry to two equivalent K(2), two equivalent Ho(2), one Cu(1), one Cu(2), and one Cu(4) atom. In the fifth S site, S(5) is bonded to two equivalent K(2), one Ho(1), two equivalent Ho(3), and one Cu(1) atom to form distorted SK2Ho3Cu octahedra that share corners with two equivalent S(9)KHo3Cu2 octahedra, edges with two equivalent S(5)K2Ho3Cu octahedra, and edges with two equivalent S(8)K2Ho3Cu octahedra. The corner-sharing octahedral tilt angles range from 41-42°. In the sixth S site, S(6) is bonded to one K(1), one Ho(2), two equivalent Ho(4), and two equivalent Cu(2) atoms to form distorted SKHo3Cu2 octahedra that share corners with two equivalent S(8)K2Ho3Cu octahedra, edges with two equivalent S(6)KHo3Cu2 octahedra, and edges with two equivalent S(9)KHo3Cu2 octahedra. The corner-sharing octahedral tilt angles range from 40-41°. In the seventh S site, S(7) is bonded in a square co-planar geometry to two equivalent Ho(1) and two equivalent Ho(3) atoms. In the eighth S site, S(8) is bonded to two equivalent K(1), one Ho(3), two equivalent Ho(1), and one Cu(3) atom to form distorted SK2Ho3Cu octahedra that share corners with two equivalent S(6)KHo3Cu2 octahedra, edges with two equivalent S(5)K2Ho3Cu octahedra, and edges with two equivalent S(8)K2Ho3Cu octahedra. The corner-sharing octahedral tilt angles range from 40-41°. In the ninth S site, S(9) is bonded to one K(2), one Ho(4), two equivalent Ho(2), and two equivalent Cu(4) atoms to form distorted SKHo3Cu2 octahedra that share corners with two equivalent S(5)K2Ho3Cu octahedra, edges with two equivalent S(6)KHo3Cu2 octahedra, and edges with two equivalent S(9)KHo3Cu2 octahedra. The corner-sharing octahedral tilt angles range from 41-42°. is represented by the CIF file [CIF]
data_K2Ho4Cu4S9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.923
_cell_length_b   7.112
_cell_length_c   15.087
_cell_angle_alpha   93.565
_cell_angle_beta   97.403
_cell_angle_gamma   105.836
_symmetry_Int_Tables_number   1
_cell_volume   399.469
_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  0.736  0.706  0.769  1.0
  K  K1  1  0.251  0.286  0.228  1.0
  Ho  Ho2  1  0.607  0.251  0.944  1.0
  Ho  Ho3  1  0.628  0.859  0.394  1.0
  Ho  Ho4  1  0.398  0.743  0.055  1.0
  Ho  Ho5  1  0.372  0.136  0.604  1.0
  Cu  Cu6  1  0.987  0.734  0.230  1.0
  Cu  Cu7  1  0.111  0.681  0.544  1.0
  Cu  Cu8  1  0.016  0.266  0.769  1.0
  Cu  Cu9  1  0.884  0.318  0.459  1.0
  S  S10  1  0.569  0.921  0.221  1.0
  S  S11  1  0.432  0.077  0.777  1.0
  S  S12  1  0.012  0.406  0.627  1.0
  S  S13  1  0.985  0.591  0.372  1.0
  S  S14  1  0.800  0.502  0.102  1.0
  S  S15  1  0.712  0.850  0.575  1.0
  S  S16  1  0.007  0.998  1.000  1.0
  S  S17  1  0.203  0.492  0.898  1.0
  S  S18  1  0.282  0.147  0.424  1.0
[/CIF]
.