The material described by Ho2S3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 8-coordinate geometry to two equivalent S(2), three equivalent S(1), and three equivalent S(3) atoms. In the second Ho site, Ho(2) is bonded to two equivalent S(1), two equivalent S(3), and three equivalent S(2) atoms to form a mixture of distorted edge and corner-sharing HoS7 pentagonal bipyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent Ho(2) and three equivalent Ho(1) atoms. In the second S site, S(2) is bonded to two equivalent Ho(1) and three equivalent Ho(2) atoms to form a mixture of edge and corner-sharing SHo5 square pyramids. In the third S site, S(3) is bonded to two equivalent Ho(2) and three equivalent Ho(1) atoms to form a mixture of distorted edge and corner-sharing SHo5 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ho2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.837
_cell_length_b   10.446
_cell_length_c   10.558
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   423.108
_cell_formula_units_Z   4
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  0.250  0.996  0.808  1.0
  Ho  Ho1  1  0.750  0.004  0.192  1.0
  Ho  Ho2  1  0.750  0.496  0.692  1.0
  Ho  Ho3  1  0.250  0.504  0.308  1.0
  Ho  Ho4  1  0.250  0.187  0.490  1.0
  Ho  Ho5  1  0.750  0.813  0.510  1.0
  Ho  Ho6  1  0.750  0.687  0.010  1.0
  Ho  Ho7  1  0.250  0.313  0.990  1.0
  S  S8  1  0.250  0.305  0.727  1.0
  S  S9  1  0.750  0.695  0.273  1.0
  S  S10  1  0.750  0.805  0.773  1.0
  S  S11  1  0.250  0.195  0.227  1.0
  S  S12  1  0.250  0.945  0.381  1.0
  S  S13  1  0.750  0.055  0.619  1.0
  S  S14  1  0.750  0.445  0.119  1.0
  S  S15  1  0.250  0.555  0.881  1.0
  S  S16  1  0.250  0.873  0.046  1.0
  S  S17  1  0.750  0.127  0.954  1.0
  S  S18  1  0.750  0.373  0.454  1.0
  S  S19  1  0.250  0.627  0.546  1.0
[/CIF]
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The material described by Ho2S3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 8-coordinate geometry to two equivalent S(2), three equivalent S(1), and three equivalent S(3) atoms. In the second Ho site, Ho(2) is bonded to two equivalent S(1), two equivalent S(3), and three equivalent S(2) atoms to form a mixture of distorted edge and corner-sharing HoS7 pentagonal bipyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent Ho(2) and three equivalent Ho(1) atoms. In the second S site, S(2) is bonded to two equivalent Ho(1) and three equivalent Ho(2) atoms to form a mixture of edge and corner-sharing SHo5 square pyramids. In the third S site, S(3) is bonded to two equivalent Ho(2) and three equivalent Ho(1) atoms to form a mixture of distorted edge and corner-sharing SHo5 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ho2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.837
_cell_length_b   10.446
_cell_length_c   10.558
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   423.108
_cell_formula_units_Z   4
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  0.250  0.996  0.808  1.0
  Ho  Ho1  1  0.750  0.004  0.192  1.0
  Ho  Ho2  1  0.750  0.496  0.692  1.0
  Ho  Ho3  1  0.250  0.504  0.308  1.0
  Ho  Ho4  1  0.250  0.187  0.490  1.0
  Ho  Ho5  1  0.750  0.813  0.510  1.0
  Ho  Ho6  1  0.750  0.687  0.010  1.0
  Ho  Ho7  1  0.250  0.313  0.990  1.0
  S  S8  1  0.250  0.305  0.727  1.0
  S  S9  1  0.750  0.695  0.273  1.0
  S  S10  1  0.750  0.805  0.773  1.0
  S  S11  1  0.250  0.195  0.227  1.0
  S  S12  1  0.250  0.945  0.381  1.0
  S  S13  1  0.750  0.055  0.619  1.0
  S  S14  1  0.750  0.445  0.119  1.0
  S  S15  1  0.250  0.555  0.881  1.0
  S  S16  1  0.250  0.873  0.046  1.0
  S  S17  1  0.750  0.127  0.954  1.0
  S  S18  1  0.750  0.373  0.454  1.0
  S  S19  1  0.250  0.627  0.546  1.0
[/CIF]
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