The structure described by Ho3CuSiS7 crystallizes in the hexagonal P6_3 space group. Ho(1) is bonded in a 8-coordinate geometry to one S(3), three equivalent S(1), and four equivalent S(2) atoms. Cu(1) is bonded in a trigonal planar geometry to three equivalent S(2) atoms. Si(1) is bonded in a tetrahedral geometry to one S(3) and three equivalent S(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ho(1) and one Si(1) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to four equivalent Ho(1) and one Cu(1) atom. In the third S site, S(3) is bonded in a distorted tetrahedral geometry to three equivalent Ho(1) and one Si(1) atom. is represented by the CIF file [CIF]
data_Ho3CuSiS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.849
_cell_length_b   9.849
_cell_length_c   5.704
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   479.201
_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  0.870  0.643  0.242  1.0
  Ho  Ho1  1  0.227  0.870  0.742  1.0
  Ho  Ho2  1  0.643  0.773  0.742  1.0
  Ho  Ho3  1  0.357  0.227  0.242  1.0
  Ho  Ho4  1  0.773  0.130  0.242  1.0
  Ho  Ho5  1  0.130  0.357  0.742  1.0
  Cu  Cu6  1  0.000  0.000  0.192  1.0
  Cu  Cu7  1  0.000  0.000  0.692  1.0
  Si  Si8  1  0.333  0.667  0.331  1.0
  Si  Si9  1  0.667  0.333  0.831  1.0
  S  S10  1  0.105  0.583  0.482  1.0
  S  S11  1  0.895  0.417  0.982  1.0
  S  S12  1  0.583  0.477  0.982  1.0
  S  S13  1  0.477  0.895  0.482  1.0
  S  S14  1  0.163  0.904  0.211  1.0
  S  S15  1  0.259  0.163  0.711  1.0
  S  S16  1  0.523  0.105  0.982  1.0
  S  S17  1  0.417  0.523  0.482  1.0
  S  S18  1  0.333  0.667  0.960  1.0
  S  S19  1  0.667  0.333  0.460  1.0
  S  S20  1  0.837  0.096  0.711  1.0
  S  S21  1  0.741  0.837  0.211  1.0
  S  S22  1  0.096  0.259  0.211  1.0
  S  S23  1  0.904  0.741  0.711  1.0
[/CIF]
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The structure described by Ho3CuSiS7 crystallizes in the hexagonal P6_3 space group. Ho(1) is bonded in a 8-coordinate geometry to one S(3), three equivalent S(1), and four equivalent S(2) atoms. Cu(1) is bonded in a trigonal planar geometry to three equivalent S(2) atoms. Si(1) is bonded in a tetrahedral geometry to one S(3) and three equivalent S(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ho(1) and one Si(1) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to four equivalent Ho(1) and one Cu(1) atom. In the third S site, S(3) is bonded in a distorted tetrahedral geometry to three equivalent Ho(1) and one Si(1) atom. is represented by the CIF file [CIF]
data_Ho3CuSiS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.849
_cell_length_b   9.849
_cell_length_c   5.704
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   479.201
_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  0.870  0.643  0.242  1.0
  Ho  Ho1  1  0.227  0.870  0.742  1.0
  Ho  Ho2  1  0.643  0.773  0.742  1.0
  Ho  Ho3  1  0.357  0.227  0.242  1.0
  Ho  Ho4  1  0.773  0.130  0.242  1.0
  Ho  Ho5  1  0.130  0.357  0.742  1.0
  Cu  Cu6  1  0.000  0.000  0.192  1.0
  Cu  Cu7  1  0.000  0.000  0.692  1.0
  Si  Si8  1  0.333  0.667  0.331  1.0
  Si  Si9  1  0.667  0.333  0.831  1.0
  S  S10  1  0.105  0.583  0.482  1.0
  S  S11  1  0.895  0.417  0.982  1.0
  S  S12  1  0.583  0.477  0.982  1.0
  S  S13  1  0.477  0.895  0.482  1.0
  S  S14  1  0.163  0.904  0.211  1.0
  S  S15  1  0.259  0.163  0.711  1.0
  S  S16  1  0.523  0.105  0.982  1.0
  S  S17  1  0.417  0.523  0.482  1.0
  S  S18  1  0.333  0.667  0.960  1.0
  S  S19  1  0.667  0.333  0.460  1.0
  S  S20  1  0.837  0.096  0.711  1.0
  S  S21  1  0.741  0.837  0.211  1.0
  S  S22  1  0.096  0.259  0.211  1.0
  S  S23  1  0.904  0.741  0.711  1.0
[/CIF]
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