The crystal structure described by Ho5S7 crystallizes in the monoclinic C2/m space group. There are three inequivalent Ho sites. In the first Ho site, Ho(1) is bonded to two equivalent S(3) and four equivalent S(2) atoms to form HoS6 octahedra that share corners with two equivalent Ho(2)S6 octahedra, corners with four equivalent Ho(3)S7 pentagonal bipyramids, edges with two equivalent Ho(1)S6 octahedra, and edges with six equivalent Ho(3)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 56°. In the second Ho site, Ho(2) is bonded to one S(3), two equivalent S(1), and three equivalent S(4) atoms to form HoS6 octahedra that share  a cornercorner with one Ho(1)S6 octahedra, corners with two equivalent Ho(2)S6 octahedra, corners with six equivalent Ho(3)S7 pentagonal bipyramids, edges with five equivalent Ho(2)S6 octahedra, and  an edgeedge with one Ho(3)S7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 0-56°. In the third Ho site, Ho(3) is bonded to two equivalent S(3), two equivalent S(4), and three equivalent S(2) atoms to form distorted HoS7 pentagonal bipyramids that share corners with two equivalent Ho(1)S6 octahedra, corners with six equivalent Ho(2)S6 octahedra,  an edgeedge with one Ho(2)S6 octahedra, edges with three equivalent Ho(1)S6 octahedra, edges with two equivalent Ho(3)S7 pentagonal bipyramids, and faces with two equivalent Ho(3)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 22-67°. There are four inequivalent S sites. In the first S site, S(1) is bonded in a square co-planar geometry to four equivalent Ho(2) atoms. In the second S site, S(2) is bonded to two equivalent Ho(1) and three equivalent Ho(3) atoms to form distorted SHo5 trigonal bipyramids that share corners with four equivalent S(3)Ho4 tetrahedra, corners with two equivalent S(2)Ho5 trigonal bipyramids, corners with four equivalent S(4)Ho5 trigonal bipyramids, edges with three equivalent S(3)Ho4 tetrahedra,  an edgeedge with one S(4)Ho5 trigonal bipyramid, and edges with five equivalent S(2)Ho5 trigonal bipyramids. In the third S site, S(3) is bonded to one Ho(1), one Ho(2), and two equivalent Ho(3) atoms to form distorted SHo4 tetrahedra that share corners with three equivalent S(3)Ho4 tetrahedra, corners with four equivalent S(2)Ho5 trigonal bipyramids, corners with five equivalent S(4)Ho5 trigonal bipyramids,  an edgeedge with one S(4)Ho5 trigonal bipyramid, and edges with three equivalent S(2)Ho5 trigonal bipyramids. In the fourth S site, S(4) is bonded to two equivalent Ho(3) and three equivalent Ho(2) atoms to form SHo5 trigonal bipyramids that share corners with five equivalent S(3)Ho4 tetrahedra, corners with four equivalent S(2)Ho5 trigonal bipyramids,  an edgeedge with one S(3)Ho4 tetrahedra,  an edgeedge with one S(2)Ho5 trigonal bipyramid, and edges with four equivalent S(4)Ho5 trigonal bipyramids. is represented by the CIF card [CIF]
data_Ho5S7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.777
_cell_length_b   6.642
_cell_length_c   11.531
_cell_angle_alpha   104.004
_cell_angle_beta   90.000
_cell_angle_gamma   106.517
_symmetry_Int_Tables_number   1
_cell_volume   268.325
_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
  Ho  Ho0  1  0.000  0.000  0.000  1.0
  Ho  Ho1  1  0.112  0.223  0.421  1.0
  Ho  Ho2  1  0.888  0.777  0.579  1.0
  Ho  Ho3  1  0.300  0.601  0.188  1.0
  Ho  Ho4  1  0.700  0.399  0.812  1.0
  S  S5  1  0.500  0.000  0.500  1.0
  S  S6  1  0.659  0.318  0.051  1.0
  S  S7  1  0.341  0.682  0.949  1.0
  S  S8  1  0.959  0.918  0.215  1.0
  S  S9  1  0.041  0.082  0.785  1.0
  S  S10  1  0.259  0.518  0.647  1.0
  S  S11  1  0.741  0.482  0.353  1.0
[/CIF]
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The crystal structure described by Ho5S7 crystallizes in the monoclinic C2/m space group. There are three inequivalent Ho sites. In the first Ho site, Ho(1) is bonded to two equivalent S(3) and four equivalent S(2) atoms to form HoS6 octahedra that share corners with two equivalent Ho(2)S6 octahedra, corners with four equivalent Ho(3)S7 pentagonal bipyramids, edges with two equivalent Ho(1)S6 octahedra, and edges with six equivalent Ho(3)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 56°. In the second Ho site, Ho(2) is bonded to one S(3), two equivalent S(1), and three equivalent S(4) atoms to form HoS6 octahedra that share  a cornercorner with one Ho(1)S6 octahedra, corners with two equivalent Ho(2)S6 octahedra, corners with six equivalent Ho(3)S7 pentagonal bipyramids, edges with five equivalent Ho(2)S6 octahedra, and  an edgeedge with one Ho(3)S7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 0-56°. In the third Ho site, Ho(3) is bonded to two equivalent S(3), two equivalent S(4), and three equivalent S(2) atoms to form distorted HoS7 pentagonal bipyramids that share corners with two equivalent Ho(1)S6 octahedra, corners with six equivalent Ho(2)S6 octahedra,  an edgeedge with one Ho(2)S6 octahedra, edges with three equivalent Ho(1)S6 octahedra, edges with two equivalent Ho(3)S7 pentagonal bipyramids, and faces with two equivalent Ho(3)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 22-67°. There are four inequivalent S sites. In the first S site, S(1) is bonded in a square co-planar geometry to four equivalent Ho(2) atoms. In the second S site, S(2) is bonded to two equivalent Ho(1) and three equivalent Ho(3) atoms to form distorted SHo5 trigonal bipyramids that share corners with four equivalent S(3)Ho4 tetrahedra, corners with two equivalent S(2)Ho5 trigonal bipyramids, corners with four equivalent S(4)Ho5 trigonal bipyramids, edges with three equivalent S(3)Ho4 tetrahedra,  an edgeedge with one S(4)Ho5 trigonal bipyramid, and edges with five equivalent S(2)Ho5 trigonal bipyramids. In the third S site, S(3) is bonded to one Ho(1), one Ho(2), and two equivalent Ho(3) atoms to form distorted SHo4 tetrahedra that share corners with three equivalent S(3)Ho4 tetrahedra, corners with four equivalent S(2)Ho5 trigonal bipyramids, corners with five equivalent S(4)Ho5 trigonal bipyramids,  an edgeedge with one S(4)Ho5 trigonal bipyramid, and edges with three equivalent S(2)Ho5 trigonal bipyramids. In the fourth S site, S(4) is bonded to two equivalent Ho(3) and three equivalent Ho(2) atoms to form SHo5 trigonal bipyramids that share corners with five equivalent S(3)Ho4 tetrahedra, corners with four equivalent S(2)Ho5 trigonal bipyramids,  an edgeedge with one S(3)Ho4 tetrahedra,  an edgeedge with one S(2)Ho5 trigonal bipyramid, and edges with four equivalent S(4)Ho5 trigonal bipyramids. is represented by the CIF card [CIF]
data_Ho5S7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.777
_cell_length_b   6.642
_cell_length_c   11.531
_cell_angle_alpha   104.004
_cell_angle_beta   90.000
_cell_angle_gamma   106.517
_symmetry_Int_Tables_number   1
_cell_volume   268.325
_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
  Ho  Ho0  1  0.000  0.000  0.000  1.0
  Ho  Ho1  1  0.112  0.223  0.421  1.0
  Ho  Ho2  1  0.888  0.777  0.579  1.0
  Ho  Ho3  1  0.300  0.601  0.188  1.0
  Ho  Ho4  1  0.700  0.399  0.812  1.0
  S  S5  1  0.500  0.000  0.500  1.0
  S  S6  1  0.659  0.318  0.051  1.0
  S  S7  1  0.341  0.682  0.949  1.0
  S  S8  1  0.959  0.918  0.215  1.0
  S  S9  1  0.041  0.082  0.785  1.0
  S  S10  1  0.259  0.518  0.647  1.0
  S  S11  1  0.741  0.482  0.353  1.0
[/CIF]
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