The material described by Ho2S3 crystallizes in the monoclinic P2_1/m space group. There are six inequivalent Ho sites. In the first Ho site, Ho(1) is bonded to one S(2), one S(6), two equivalent S(8), and three equivalent S(9) atoms to form distorted HoS7 pentagonal bipyramids that share  a cornercorner with one Ho(2)S6 octahedra, corners with two equivalent Ho(4)S6 octahedra, corners with two equivalent Ho(6)S7 pentagonal bipyramids, edges with two equivalent Ho(3)S6 octahedra, edges with two equivalent Ho(6)S7 pentagonal bipyramids, edges with four equivalent Ho(1)S7 pentagonal bipyramids, and  a faceface with one Ho(6)S7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 49-51°. In the second Ho site, Ho(2) is bonded to one S(6), two equivalent S(4), and three equivalent S(1) atoms to form HoS6 octahedra that share corners with two equivalent Ho(3)S6 octahedra, corners with two equivalent Ho(4)S6 octahedra,  a cornercorner with one Ho(1)S7 pentagonal bipyramid, corners with four equivalent Ho(5)S7 pentagonal bipyramids, edges with four equivalent Ho(2)S6 octahedra, and  a faceface with one Ho(5)S7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 63-68°. In the third Ho site, Ho(3) is bonded to one S(7), one S(8), two equivalent S(5), and two equivalent S(6) atoms to form HoS6 octahedra that share corners with two equivalent Ho(2)S6 octahedra, corners with two equivalent Ho(4)S6 octahedra,  a cornercorner with one Ho(5)S7 pentagonal bipyramid,  a cornercorner with one Ho(6)S7 pentagonal bipyramid,  an edgeedge with one Ho(4)S6 octahedra, edges with two equivalent Ho(3)S6 octahedra, edges with two equivalent Ho(1)S7 pentagonal bipyramids, and edges with two equivalent Ho(5)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 14-63°. In the fourth Ho site, Ho(4) is bonded to one S(3), one S(4), two equivalent S(2), and two equivalent S(5) atoms to form HoS6 octahedra that share corners with two equivalent Ho(2)S6 octahedra, corners with two equivalent Ho(3)S6 octahedra,  a cornercorner with one Ho(6)S7 pentagonal bipyramid, corners with two equivalent Ho(1)S7 pentagonal bipyramids,  an edgeedge with one Ho(3)S6 octahedra, edges with two equivalent Ho(4)S6 octahedra, edges with two equivalent Ho(5)S7 pentagonal bipyramids, and edges with two equivalent Ho(6)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 14-68°. In the fifth Ho site, Ho(5) is bonded to one S(1), one S(5), two equivalent S(4), and three equivalent S(7) atoms to form distorted HoS7 pentagonal bipyramids that share  a cornercorner with one Ho(3)S6 octahedra, corners with four equivalent Ho(2)S6 octahedra, edges with two equivalent Ho(3)S6 octahedra, edges with two equivalent Ho(4)S6 octahedra, edges with four equivalent Ho(5)S7 pentagonal bipyramids, and  a faceface with one Ho(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 32-49°. In the sixth Ho site, Ho(6) is bonded to one S(2), one S(8), two equivalent S(9), and three equivalent S(3) atoms to form distorted HoS7 pentagonal bipyramids that share  a cornercorner with one Ho(3)S6 octahedra,  a cornercorner with one Ho(4)S6 octahedra, corners with two equivalent Ho(1)S7 pentagonal bipyramids, edges with two equivalent Ho(4)S6 octahedra, edges with two equivalent Ho(1)S7 pentagonal bipyramids, edges with four equivalent Ho(6)S7 pentagonal bipyramids, and  a faceface with one Ho(1)S7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 33-34°. There are nine inequivalent S sites. In the first S site, S(1) is bonded to one Ho(5) and three equivalent Ho(2) atoms to form SHo4 trigonal pyramids that share  a cornercorner with one S(5)Ho5 square pyramid, corners with three equivalent S(7)Ho4 tetrahedra, corners with two equivalent S(4)Ho5 trigonal bipyramids, corners with two equivalent S(1)Ho4 trigonal pyramids, edges with three equivalent S(4)Ho5 trigonal bipyramids, and edges with two equivalent S(1)Ho4 trigonal pyramids. In the second S site, S(2) is bonded to one Ho(1), one Ho(6), and two equivalent Ho(4) atoms to form SHo4 trigonal pyramids that share corners with two equivalent S(5)Ho5 square pyramids,  a cornercorner with one S(9)Ho5 trigonal bipyramid, corners with two equivalent S(4)Ho5 trigonal bipyramids,  a cornercorner with one S(3)Ho4 trigonal pyramid, corners with two equivalent S(2)Ho4 trigonal pyramids, corners with three equivalent S(8)Ho4 trigonal pyramids,  an edgeedge with one S(5)Ho5 square pyramid, edges with two equivalent S(9)Ho5 trigonal bipyramids, and edges with two equivalent S(3)Ho4 trigonal pyramids. In the third S site, S(3) is bonded to one Ho(4) and three equivalent Ho(6) atoms to form distorted SHo4 trigonal pyramids that share corners with two equivalent S(5)Ho5 square pyramids,  a cornercorner with one S(4)Ho5 trigonal bipyramid, corners with four equivalent S(9)Ho5 trigonal bipyramids,  a cornercorner with one S(2)Ho4 trigonal pyramid, corners with two equivalent S(3)Ho4 trigonal pyramids, corners with three equivalent S(8)Ho4 trigonal pyramids,  an edgeedge with one S(9)Ho5 trigonal bipyramid, edges with two equivalent S(2)Ho4 trigonal pyramids, and edges with two equivalent S(3)Ho4 trigonal pyramids. In the fourth S site, S(4) is bonded to one Ho(4), two equivalent Ho(2), and two equivalent Ho(5) atoms to form distorted SHo5 trigonal bipyramids that share corners with four equivalent S(7)Ho4 tetrahedra,  a cornercorner with one S(3)Ho4 trigonal pyramid, corners with two equivalent S(1)Ho4 trigonal pyramids, corners with two equivalent S(2)Ho4 trigonal pyramids, edges with two equivalent S(5)Ho5 square pyramids,  an edgeedge with one S(7)Ho4 tetrahedra, edges with two equivalent S(4)Ho5 trigonal bipyramids, and edges with three equivalent S(1)Ho4 trigonal pyramids. In the fifth S site, S(5) is bonded to one Ho(5), two equivalent Ho(3), and two equivalent Ho(4) atoms to form SHo5 square pyramids that share  a cornercorner with one S(7)Ho4 tetrahedra,  a cornercorner with one S(1)Ho4 trigonal pyramid, corners with two equivalent S(2)Ho4 trigonal pyramids, corners with two equivalent S(3)Ho4 trigonal pyramids, corners with two equivalent S(8)Ho4 trigonal pyramids, edges with two equivalent S(5)Ho5 square pyramids, edges with two equivalent S(7)Ho4 tetrahedra, edges with two equivalent S(4)Ho5 trigonal bipyramids, and  an edgeedge with one S(2)Ho4 trigonal pyramid. In the sixth S site, S(6) is bonded in a distorted rectangular see-saw-like geometry to one Ho(1), one Ho(2), and two equivalent Ho(3) atoms. In the seventh S site, S(7) is bonded to one Ho(3) and three equivalent Ho(5) atoms to form SHo4 tetrahedra that share  a cornercorner with one S(5)Ho5 square pyramid, corners with two equivalent S(7)Ho4 tetrahedra, corners with four equivalent S(4)Ho5 trigonal bipyramids,  a cornercorner with one S(8)Ho4 trigonal pyramid, corners with three equivalent S(1)Ho4 trigonal pyramids, edges with two equivalent S(5)Ho5 square pyramids, edges with two equivalent S(7)Ho4 tetrahedra, and  an edgeedge with one S(4)Ho5 trigonal bipyramid. In the eighth S site, S(8) is bonded to one Ho(3), one Ho(6), and two equivalent Ho(1) atoms to form distorted SHo4 trigonal pyramids that share corners with two equivalent S(5)Ho5 square pyramids,  a cornercorner with one S(7)Ho4 tetrahedra, corners with two equivalent S(9)Ho5 trigonal bipyramids, corners with two equivalent S(8)Ho4 trigonal pyramids, corners with three equivalent S(2)Ho4 trigonal pyramids, corners with three equivalent S(3)Ho4 trigonal pyramids, and edges with three equivalent S(9)Ho5 trigonal bipyramids. In the ninth S site, S(9) is bonded to two equivalent Ho(6) and three equivalent Ho(1) atoms to form distorted SHo5 trigonal bipyramids that share  a cornercorner with one S(2)Ho4 trigonal pyramid, corners with two equivalent S(8)Ho4 trigonal pyramids, corners with four equivalent S(3)Ho4 trigonal pyramids, edges with four equivalent S(9)Ho5 trigonal bipyramids,  an edgeedge with one S(3)Ho4 trigonal pyramid, edges with two equivalent S(2)Ho4 trigonal pyramids, and edges with three equivalent S(8)Ho4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ho2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.997
_cell_length_b   10.125
_cell_length_c   17.547
_cell_angle_alpha   98.635
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   702.052
_cell_formula_units_Z   6
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  0.750  0.451  0.885  1.0
  Ho  Ho1  1  0.250  0.549  0.115  1.0
  Ho  Ho2  1  0.750  0.513  0.601  1.0
  Ho  Ho3  1  0.250  0.487  0.399  1.0
  Ho  Ho4  1  0.750  0.812  0.279  1.0
  Ho  Ho5  1  0.250  0.188  0.721  1.0
  Ho  Ho6  1  0.750  0.170  0.218  1.0
  Ho  Ho7  1  0.250  0.830  0.782  1.0
  Ho  Ho8  1  0.750  0.876  0.570  1.0
  Ho  Ho9  1  0.250  0.124  0.430  1.0
  Ho  Ho10  1  0.750  0.811  0.980  1.0
  Ho  Ho11  1  0.250  0.189  0.020  1.0
  S  S12  1  0.750  0.633  0.469  1.0
  S  S13  1  0.250  0.367  0.531  1.0
  S  S14  1  0.750  0.681  0.818  1.0
  S  S15  1  0.250  0.319  0.182  1.0
  S  S16  1  0.750  0.049  0.076  1.0
  S  S17  1  0.250  0.951  0.924  1.0
  S  S18  1  0.750  0.290  0.369  1.0
  S  S19  1  0.250  0.710  0.631  1.0
  S  S20  1  0.750  0.993  0.732  1.0
  S  S21  1  0.250  0.007  0.268  1.0
  S  S22  1  0.750  0.362  0.717  1.0
  S  S23  1  0.250  0.638  0.283  1.0
  S  S24  1  0.250  0.052  0.575  1.0
  S  S25  1  0.750  0.948  0.425  1.0
  S  S26  1  0.250  0.269  0.873  1.0
  S  S27  1  0.750  0.731  0.127  1.0
  S  S28  1  0.250  0.616  0.967  1.0
  S  S29  1  0.750  0.384  0.033  1.0
[/CIF]
.
The material described by Ho2S3 crystallizes in the monoclinic P2_1/m space group. There are six inequivalent Ho sites. In the first Ho site, Ho(1) is bonded to one S(2), one S(6), two equivalent S(8), and three equivalent S(9) atoms to form distorted HoS7 pentagonal bipyramids that share  a cornercorner with one Ho(2)S6 octahedra, corners with two equivalent Ho(4)S6 octahedra, corners with two equivalent Ho(6)S7 pentagonal bipyramids, edges with two equivalent Ho(3)S6 octahedra, edges with two equivalent Ho(6)S7 pentagonal bipyramids, edges with four equivalent Ho(1)S7 pentagonal bipyramids, and  a faceface with one Ho(6)S7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 49-51°. In the second Ho site, Ho(2) is bonded to one S(6), two equivalent S(4), and three equivalent S(1) atoms to form HoS6 octahedra that share corners with two equivalent Ho(3)S6 octahedra, corners with two equivalent Ho(4)S6 octahedra,  a cornercorner with one Ho(1)S7 pentagonal bipyramid, corners with four equivalent Ho(5)S7 pentagonal bipyramids, edges with four equivalent Ho(2)S6 octahedra, and  a faceface with one Ho(5)S7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 63-68°. In the third Ho site, Ho(3) is bonded to one S(7), one S(8), two equivalent S(5), and two equivalent S(6) atoms to form HoS6 octahedra that share corners with two equivalent Ho(2)S6 octahedra, corners with two equivalent Ho(4)S6 octahedra,  a cornercorner with one Ho(5)S7 pentagonal bipyramid,  a cornercorner with one Ho(6)S7 pentagonal bipyramid,  an edgeedge with one Ho(4)S6 octahedra, edges with two equivalent Ho(3)S6 octahedra, edges with two equivalent Ho(1)S7 pentagonal bipyramids, and edges with two equivalent Ho(5)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 14-63°. In the fourth Ho site, Ho(4) is bonded to one S(3), one S(4), two equivalent S(2), and two equivalent S(5) atoms to form HoS6 octahedra that share corners with two equivalent Ho(2)S6 octahedra, corners with two equivalent Ho(3)S6 octahedra,  a cornercorner with one Ho(6)S7 pentagonal bipyramid, corners with two equivalent Ho(1)S7 pentagonal bipyramids,  an edgeedge with one Ho(3)S6 octahedra, edges with two equivalent Ho(4)S6 octahedra, edges with two equivalent Ho(5)S7 pentagonal bipyramids, and edges with two equivalent Ho(6)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 14-68°. In the fifth Ho site, Ho(5) is bonded to one S(1), one S(5), two equivalent S(4), and three equivalent S(7) atoms to form distorted HoS7 pentagonal bipyramids that share  a cornercorner with one Ho(3)S6 octahedra, corners with four equivalent Ho(2)S6 octahedra, edges with two equivalent Ho(3)S6 octahedra, edges with two equivalent Ho(4)S6 octahedra, edges with four equivalent Ho(5)S7 pentagonal bipyramids, and  a faceface with one Ho(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 32-49°. In the sixth Ho site, Ho(6) is bonded to one S(2), one S(8), two equivalent S(9), and three equivalent S(3) atoms to form distorted HoS7 pentagonal bipyramids that share  a cornercorner with one Ho(3)S6 octahedra,  a cornercorner with one Ho(4)S6 octahedra, corners with two equivalent Ho(1)S7 pentagonal bipyramids, edges with two equivalent Ho(4)S6 octahedra, edges with two equivalent Ho(1)S7 pentagonal bipyramids, edges with four equivalent Ho(6)S7 pentagonal bipyramids, and  a faceface with one Ho(1)S7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 33-34°. There are nine inequivalent S sites. In the first S site, S(1) is bonded to one Ho(5) and three equivalent Ho(2) atoms to form SHo4 trigonal pyramids that share  a cornercorner with one S(5)Ho5 square pyramid, corners with three equivalent S(7)Ho4 tetrahedra, corners with two equivalent S(4)Ho5 trigonal bipyramids, corners with two equivalent S(1)Ho4 trigonal pyramids, edges with three equivalent S(4)Ho5 trigonal bipyramids, and edges with two equivalent S(1)Ho4 trigonal pyramids. In the second S site, S(2) is bonded to one Ho(1), one Ho(6), and two equivalent Ho(4) atoms to form SHo4 trigonal pyramids that share corners with two equivalent S(5)Ho5 square pyramids,  a cornercorner with one S(9)Ho5 trigonal bipyramid, corners with two equivalent S(4)Ho5 trigonal bipyramids,  a cornercorner with one S(3)Ho4 trigonal pyramid, corners with two equivalent S(2)Ho4 trigonal pyramids, corners with three equivalent S(8)Ho4 trigonal pyramids,  an edgeedge with one S(5)Ho5 square pyramid, edges with two equivalent S(9)Ho5 trigonal bipyramids, and edges with two equivalent S(3)Ho4 trigonal pyramids. In the third S site, S(3) is bonded to one Ho(4) and three equivalent Ho(6) atoms to form distorted SHo4 trigonal pyramids that share corners with two equivalent S(5)Ho5 square pyramids,  a cornercorner with one S(4)Ho5 trigonal bipyramid, corners with four equivalent S(9)Ho5 trigonal bipyramids,  a cornercorner with one S(2)Ho4 trigonal pyramid, corners with two equivalent S(3)Ho4 trigonal pyramids, corners with three equivalent S(8)Ho4 trigonal pyramids,  an edgeedge with one S(9)Ho5 trigonal bipyramid, edges with two equivalent S(2)Ho4 trigonal pyramids, and edges with two equivalent S(3)Ho4 trigonal pyramids. In the fourth S site, S(4) is bonded to one Ho(4), two equivalent Ho(2), and two equivalent Ho(5) atoms to form distorted SHo5 trigonal bipyramids that share corners with four equivalent S(7)Ho4 tetrahedra,  a cornercorner with one S(3)Ho4 trigonal pyramid, corners with two equivalent S(1)Ho4 trigonal pyramids, corners with two equivalent S(2)Ho4 trigonal pyramids, edges with two equivalent S(5)Ho5 square pyramids,  an edgeedge with one S(7)Ho4 tetrahedra, edges with two equivalent S(4)Ho5 trigonal bipyramids, and edges with three equivalent S(1)Ho4 trigonal pyramids. In the fifth S site, S(5) is bonded to one Ho(5), two equivalent Ho(3), and two equivalent Ho(4) atoms to form SHo5 square pyramids that share  a cornercorner with one S(7)Ho4 tetrahedra,  a cornercorner with one S(1)Ho4 trigonal pyramid, corners with two equivalent S(2)Ho4 trigonal pyramids, corners with two equivalent S(3)Ho4 trigonal pyramids, corners with two equivalent S(8)Ho4 trigonal pyramids, edges with two equivalent S(5)Ho5 square pyramids, edges with two equivalent S(7)Ho4 tetrahedra, edges with two equivalent S(4)Ho5 trigonal bipyramids, and  an edgeedge with one S(2)Ho4 trigonal pyramid. In the sixth S site, S(6) is bonded in a distorted rectangular see-saw-like geometry to one Ho(1), one Ho(2), and two equivalent Ho(3) atoms. In the seventh S site, S(7) is bonded to one Ho(3) and three equivalent Ho(5) atoms to form SHo4 tetrahedra that share  a cornercorner with one S(5)Ho5 square pyramid, corners with two equivalent S(7)Ho4 tetrahedra, corners with four equivalent S(4)Ho5 trigonal bipyramids,  a cornercorner with one S(8)Ho4 trigonal pyramid, corners with three equivalent S(1)Ho4 trigonal pyramids, edges with two equivalent S(5)Ho5 square pyramids, edges with two equivalent S(7)Ho4 tetrahedra, and  an edgeedge with one S(4)Ho5 trigonal bipyramid. In the eighth S site, S(8) is bonded to one Ho(3), one Ho(6), and two equivalent Ho(1) atoms to form distorted SHo4 trigonal pyramids that share corners with two equivalent S(5)Ho5 square pyramids,  a cornercorner with one S(7)Ho4 tetrahedra, corners with two equivalent S(9)Ho5 trigonal bipyramids, corners with two equivalent S(8)Ho4 trigonal pyramids, corners with three equivalent S(2)Ho4 trigonal pyramids, corners with three equivalent S(3)Ho4 trigonal pyramids, and edges with three equivalent S(9)Ho5 trigonal bipyramids. In the ninth S site, S(9) is bonded to two equivalent Ho(6) and three equivalent Ho(1) atoms to form distorted SHo5 trigonal bipyramids that share  a cornercorner with one S(2)Ho4 trigonal pyramid, corners with two equivalent S(8)Ho4 trigonal pyramids, corners with four equivalent S(3)Ho4 trigonal pyramids, edges with four equivalent S(9)Ho5 trigonal bipyramids,  an edgeedge with one S(3)Ho4 trigonal pyramid, edges with two equivalent S(2)Ho4 trigonal pyramids, and edges with three equivalent S(8)Ho4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ho2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.997
_cell_length_b   10.125
_cell_length_c   17.547
_cell_angle_alpha   98.635
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   702.052
_cell_formula_units_Z   6
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  0.750  0.451  0.885  1.0
  Ho  Ho1  1  0.250  0.549  0.115  1.0
  Ho  Ho2  1  0.750  0.513  0.601  1.0
  Ho  Ho3  1  0.250  0.487  0.399  1.0
  Ho  Ho4  1  0.750  0.812  0.279  1.0
  Ho  Ho5  1  0.250  0.188  0.721  1.0
  Ho  Ho6  1  0.750  0.170  0.218  1.0
  Ho  Ho7  1  0.250  0.830  0.782  1.0
  Ho  Ho8  1  0.750  0.876  0.570  1.0
  Ho  Ho9  1  0.250  0.124  0.430  1.0
  Ho  Ho10  1  0.750  0.811  0.980  1.0
  Ho  Ho11  1  0.250  0.189  0.020  1.0
  S  S12  1  0.750  0.633  0.469  1.0
  S  S13  1  0.250  0.367  0.531  1.0
  S  S14  1  0.750  0.681  0.818  1.0
  S  S15  1  0.250  0.319  0.182  1.0
  S  S16  1  0.750  0.049  0.076  1.0
  S  S17  1  0.250  0.951  0.924  1.0
  S  S18  1  0.750  0.290  0.369  1.0
  S  S19  1  0.250  0.710  0.631  1.0
  S  S20  1  0.750  0.993  0.732  1.0
  S  S21  1  0.250  0.007  0.268  1.0
  S  S22  1  0.750  0.362  0.717  1.0
  S  S23  1  0.250  0.638  0.283  1.0
  S  S24  1  0.250  0.052  0.575  1.0
  S  S25  1  0.750  0.948  0.425  1.0
  S  S26  1  0.250  0.269  0.873  1.0
  S  S27  1  0.750  0.731  0.127  1.0
  S  S28  1  0.250  0.616  0.967  1.0
  S  S29  1  0.750  0.384  0.033  1.0
[/CIF]
.