The crystal structure described by SrCd4S5 is Caswellsilverite-like structured and crystallizes in the trigonal R-3m space group. Sr(1) is bonded to six equivalent S(1) atoms to form SrS6 octahedra that share corners with six equivalent Cd(1)S6 octahedra, edges with six equivalent Sr(1)S6 octahedra, and edges with six equivalent Cd(1)S6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to three equivalent S(1) and three equivalent S(3) atoms to form CdS6 octahedra that share corners with three equivalent Sr(1)S6 octahedra, corners with three equivalent Cd(2)S6 octahedra, edges with three equivalent Sr(1)S6 octahedra, edges with three equivalent Cd(2)S6 octahedra, and edges with six equivalent Cd(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second Cd site, Cd(2) is bonded to three equivalent S(2) and three equivalent S(3) atoms to form a mixture of corner and edge-sharing CdS6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Sr(1) and three equivalent Cd(1) atoms to form SSr3Cd3 octahedra that share corners with three equivalent S(3)Cd6 octahedra, corners with three equivalent S(1)Sr3Cd3 octahedra, edges with three equivalent S(3)Cd6 octahedra, and edges with nine equivalent S(1)Sr3Cd3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second S site, S(2) is bonded to six equivalent Cd(2) atoms to form a mixture of corner and edge-sharing SCd6 octahedra. The corner-sharing octahedra are not tilted. In the third S site, S(3) is bonded to three equivalent Cd(1) and three equivalent Cd(2) atoms to form SCd6 octahedra that share corners with three equivalent S(2)Cd6 octahedra, corners with three equivalent S(1)Sr3Cd3 octahedra, edges with three equivalent S(2)Cd6 octahedra, edges with three equivalent S(1)Sr3Cd3 octahedra, and edges with six equivalent S(3)Cd6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrCd4S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.234
_cell_length_b   16.234
_cell_length_c   16.234
_cell_angle_alpha   14.118
_cell_angle_beta   14.118
_cell_angle_gamma   14.118
_symmetry_Int_Tables_number   1
_cell_volume   221.575
_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
  Sr  Sr0  1  0.000  0.000  0.000  1.0
  Cd  Cd1  1  0.597  0.597  0.597  1.0
  Cd  Cd2  1  0.199  0.199  0.199  1.0
  Cd  Cd3  1  0.801  0.801  0.801  1.0
  Cd  Cd4  1  0.403  0.403  0.403  1.0
  S  S5  1  0.705  0.705  0.705  1.0
  S  S6  1  0.500  0.500  0.500  1.0
  S  S7  1  0.102  0.102  0.102  1.0
  S  S8  1  0.295  0.295  0.295  1.0
  S  S9  1  0.898  0.898  0.898  1.0
[/CIF]
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The crystal structure described by SrCd4S5 is Caswellsilverite-like structured and crystallizes in the trigonal R-3m space group. Sr(1) is bonded to six equivalent S(1) atoms to form SrS6 octahedra that share corners with six equivalent Cd(1)S6 octahedra, edges with six equivalent Sr(1)S6 octahedra, and edges with six equivalent Cd(1)S6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to three equivalent S(1) and three equivalent S(3) atoms to form CdS6 octahedra that share corners with three equivalent Sr(1)S6 octahedra, corners with three equivalent Cd(2)S6 octahedra, edges with three equivalent Sr(1)S6 octahedra, edges with three equivalent Cd(2)S6 octahedra, and edges with six equivalent Cd(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second Cd site, Cd(2) is bonded to three equivalent S(2) and three equivalent S(3) atoms to form a mixture of corner and edge-sharing CdS6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Sr(1) and three equivalent Cd(1) atoms to form SSr3Cd3 octahedra that share corners with three equivalent S(3)Cd6 octahedra, corners with three equivalent S(1)Sr3Cd3 octahedra, edges with three equivalent S(3)Cd6 octahedra, and edges with nine equivalent S(1)Sr3Cd3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second S site, S(2) is bonded to six equivalent Cd(2) atoms to form a mixture of corner and edge-sharing SCd6 octahedra. The corner-sharing octahedra are not tilted. In the third S site, S(3) is bonded to three equivalent Cd(1) and three equivalent Cd(2) atoms to form SCd6 octahedra that share corners with three equivalent S(2)Cd6 octahedra, corners with three equivalent S(1)Sr3Cd3 octahedra, edges with three equivalent S(2)Cd6 octahedra, edges with three equivalent S(1)Sr3Cd3 octahedra, and edges with six equivalent S(3)Cd6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrCd4S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.234
_cell_length_b   16.234
_cell_length_c   16.234
_cell_angle_alpha   14.118
_cell_angle_beta   14.118
_cell_angle_gamma   14.118
_symmetry_Int_Tables_number   1
_cell_volume   221.575
_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
  Sr  Sr0  1  0.000  0.000  0.000  1.0
  Cd  Cd1  1  0.597  0.597  0.597  1.0
  Cd  Cd2  1  0.199  0.199  0.199  1.0
  Cd  Cd3  1  0.801  0.801  0.801  1.0
  Cd  Cd4  1  0.403  0.403  0.403  1.0
  S  S5  1  0.705  0.705  0.705  1.0
  S  S6  1  0.500  0.500  0.500  1.0
  S  S7  1  0.102  0.102  0.102  1.0
  S  S8  1  0.295  0.295  0.295  1.0
  S  S9  1  0.898  0.898  0.898  1.0
[/CIF]
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