The material structure described by Ho(CuS)3 crystallizes in the trigonal R-3 space group. Ho(1) is bonded to six equivalent S(1) atoms to form HoS6 octahedra that share corners with twelve equivalent Cu(1)S4 tetrahedra, edges with three equivalent Ho(1)S6 octahedra, and edges with six equivalent Cu(1)S4 tetrahedra. Cu(1) is bonded to four equivalent S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent Ho(1)S6 octahedra, corners with six equivalent Cu(1)S4 tetrahedra, edges with two equivalent Ho(1)S6 octahedra, and edges with three equivalent Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-55°. S(1) is bonded to two equivalent Ho(1) and four equivalent Cu(1) atoms to form a mixture of distorted edge and corner-sharing SHo2Cu4 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. is represented by the CIF card [CIF]
data_Ho(CuS)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.395
_cell_length_b   7.395
_cell_length_c   7.395
_cell_angle_alpha   53.340
_cell_angle_beta   53.340
_cell_angle_gamma   53.340
_symmetry_Int_Tables_number   1
_cell_volume   241.405
_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
  Ho  Ho0  1  0.834  0.834  0.834  1.0
  Ho  Ho1  1  0.166  0.166  0.166  1.0
  Cu  Cu2  1  0.282  0.964  0.624  1.0
  Cu  Cu3  1  0.624  0.282  0.964  1.0
  Cu  Cu4  1  0.964  0.624  0.282  1.0
  Cu  Cu5  1  0.036  0.376  0.718  1.0
  Cu  Cu6  1  0.376  0.718  0.036  1.0
  Cu  Cu7  1  0.718  0.036  0.376  1.0
  S  S8  1  0.084  0.748  0.417  1.0
  S  S9  1  0.748  0.417  0.084  1.0
  S  S10  1  0.417  0.084  0.748  1.0
  S  S11  1  0.583  0.916  0.252  1.0
  S  S12  1  0.252  0.583  0.916  1.0
  S  S13  1  0.916  0.252  0.583  1.0
[/CIF]
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The material structure described by Ho(CuS)3 crystallizes in the trigonal R-3 space group. Ho(1) is bonded to six equivalent S(1) atoms to form HoS6 octahedra that share corners with twelve equivalent Cu(1)S4 tetrahedra, edges with three equivalent Ho(1)S6 octahedra, and edges with six equivalent Cu(1)S4 tetrahedra. Cu(1) is bonded to four equivalent S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent Ho(1)S6 octahedra, corners with six equivalent Cu(1)S4 tetrahedra, edges with two equivalent Ho(1)S6 octahedra, and edges with three equivalent Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-55°. S(1) is bonded to two equivalent Ho(1) and four equivalent Cu(1) atoms to form a mixture of distorted edge and corner-sharing SHo2Cu4 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. is represented by the CIF card [CIF]
data_Ho(CuS)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.395
_cell_length_b   7.395
_cell_length_c   7.395
_cell_angle_alpha   53.340
_cell_angle_beta   53.340
_cell_angle_gamma   53.340
_symmetry_Int_Tables_number   1
_cell_volume   241.405
_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
  Ho  Ho0  1  0.834  0.834  0.834  1.0
  Ho  Ho1  1  0.166  0.166  0.166  1.0
  Cu  Cu2  1  0.282  0.964  0.624  1.0
  Cu  Cu3  1  0.624  0.282  0.964  1.0
  Cu  Cu4  1  0.964  0.624  0.282  1.0
  Cu  Cu5  1  0.036  0.376  0.718  1.0
  Cu  Cu6  1  0.376  0.718  0.036  1.0
  Cu  Cu7  1  0.718  0.036  0.376  1.0
  S  S8  1  0.084  0.748  0.417  1.0
  S  S9  1  0.748  0.417  0.084  1.0
  S  S10  1  0.417  0.084  0.748  1.0
  S  S11  1  0.583  0.916  0.252  1.0
  S  S12  1  0.252  0.583  0.916  1.0
  S  S13  1  0.916  0.252  0.583  1.0
[/CIF]
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