The structure described by CdHo2S4 crystallizes in the tetragonal I-4m2 space group. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form HoS6 octahedra that share corners with four equivalent Ho(1)S6 octahedra, edges with four equivalent Ho(2)S6 octahedra, and edges with four equivalent Cd(1)S6 octahedra. The corner-sharing octahedral tilt angles are 3°. In the second Ho site, Ho(2) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form HoS6 octahedra that share corners with two equivalent Cd(1)S6 octahedra, corners with four equivalent Ho(2)S6 octahedra, edges with four equivalent Ho(1)S6 octahedra, and edges with four equivalent Cd(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. Cd(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form CdS6 octahedra that share corners with two equivalent Ho(2)S6 octahedra, corners with four equivalent Cd(1)S6 octahedra, edges with four equivalent Ho(1)S6 octahedra, and edges with four equivalent Ho(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two inequivalent S sites. In the first S site, S(1) is bonded in a square co-planar geometry to one Ho(2), two equivalent Ho(1), and one Cd(1) atom. In the second S site, S(2) is bonded to one Ho(1), two equivalent Ho(2), and two equivalent Cd(1) atoms to form a mixture of edge and corner-sharing SHo3Cd2 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ho2CdS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.738
_cell_length_b   6.738
_cell_length_c   6.738
_cell_angle_alpha   131.836
_cell_angle_beta   131.836
_cell_angle_gamma   70.488
_symmetry_Int_Tables_number   1
_cell_volume   166.411
_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  0.250  0.750  0.500  1.0
  Ho  Ho1  1  0.000  0.000  0.000  1.0
  Cd  Cd2  1  0.500  0.500  0.000  1.0
  S  S3  1  0.756  0.756  0.000  1.0
  S  S4  1  0.244  0.244  0.000  1.0
  S  S5  1  0.496  0.996  0.500  1.0
  S  S6  1  0.004  0.504  0.500  1.0
[/CIF]
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The structure described by CdHo2S4 crystallizes in the tetragonal I-4m2 space group. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form HoS6 octahedra that share corners with four equivalent Ho(1)S6 octahedra, edges with four equivalent Ho(2)S6 octahedra, and edges with four equivalent Cd(1)S6 octahedra. The corner-sharing octahedral tilt angles are 3°. In the second Ho site, Ho(2) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form HoS6 octahedra that share corners with two equivalent Cd(1)S6 octahedra, corners with four equivalent Ho(2)S6 octahedra, edges with four equivalent Ho(1)S6 octahedra, and edges with four equivalent Cd(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. Cd(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form CdS6 octahedra that share corners with two equivalent Ho(2)S6 octahedra, corners with four equivalent Cd(1)S6 octahedra, edges with four equivalent Ho(1)S6 octahedra, and edges with four equivalent Ho(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two inequivalent S sites. In the first S site, S(1) is bonded in a square co-planar geometry to one Ho(2), two equivalent Ho(1), and one Cd(1) atom. In the second S site, S(2) is bonded to one Ho(1), two equivalent Ho(2), and two equivalent Cd(1) atoms to form a mixture of edge and corner-sharing SHo3Cd2 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ho2CdS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.738
_cell_length_b   6.738
_cell_length_c   6.738
_cell_angle_alpha   131.836
_cell_angle_beta   131.836
_cell_angle_gamma   70.488
_symmetry_Int_Tables_number   1
_cell_volume   166.411
_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  0.250  0.750  0.500  1.0
  Ho  Ho1  1  0.000  0.000  0.000  1.0
  Cd  Cd2  1  0.500  0.500  0.000  1.0
  S  S3  1  0.756  0.756  0.000  1.0
  S  S4  1  0.244  0.244  0.000  1.0
  S  S5  1  0.496  0.996  0.500  1.0
  S  S6  1  0.004  0.504  0.500  1.0
[/CIF]
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