The crystal structure described by Ag2CdSn3S8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. Ag(1) is bonded to one S(1) and three equivalent S(2) atoms to form AgS4 tetrahedra that share corners with three equivalent Cd(1)S6 octahedra and corners with nine equivalent Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 56-60°. Cd(1) is bonded to six equivalent S(2) atoms to form CdS6 octahedra that share corners with six equivalent Ag(1)S4 tetrahedra and edges with six equivalent Sn(1)S6 octahedra. Sn(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form SnS6 octahedra that share corners with six equivalent Ag(1)S4 tetrahedra, edges with two equivalent Cd(1)S6 octahedra, and edges with four equivalent Sn(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Ag(1) and three equivalent Sn(1) atoms. In the second S site, S(2) is bonded to one Ag(1), one Cd(1), and two equivalent Sn(1) atoms to form a mixture of distorted corner and edge-sharing SCdAgSn2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_CdAg2Sn3S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.764
_cell_length_b   7.764
_cell_length_c   7.764
_cell_angle_alpha   59.356
_cell_angle_beta   59.356
_cell_angle_gamma   59.356
_symmetry_Int_Tables_number   1
_cell_volume   326.035
_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
  Cd  Cd0  1  0.500  0.500  0.500  1.0
  Ag  Ag1  1  0.119  0.119  0.119  1.0
  Ag  Ag2  1  0.881  0.881  0.881  1.0
  Sn  Sn3  1  0.000  0.500  0.500  1.0
  Sn  Sn4  1  0.500  0.500  0.000  1.0
  Sn  Sn5  1  0.500  0.000  0.500  1.0
  S  S6  1  0.256  0.256  0.256  1.0
  S  S7  1  0.719  0.254  0.254  1.0
  S  S8  1  0.254  0.254  0.719  1.0
  S  S9  1  0.254  0.719  0.254  1.0
  S  S10  1  0.744  0.744  0.744  1.0
  S  S11  1  0.281  0.746  0.746  1.0
  S  S12  1  0.746  0.746  0.281  1.0
  S  S13  1  0.746  0.281  0.746  1.0
[/CIF]
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The crystal structure described by Ag2CdSn3S8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. Ag(1) is bonded to one S(1) and three equivalent S(2) atoms to form AgS4 tetrahedra that share corners with three equivalent Cd(1)S6 octahedra and corners with nine equivalent Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 56-60°. Cd(1) is bonded to six equivalent S(2) atoms to form CdS6 octahedra that share corners with six equivalent Ag(1)S4 tetrahedra and edges with six equivalent Sn(1)S6 octahedra. Sn(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form SnS6 octahedra that share corners with six equivalent Ag(1)S4 tetrahedra, edges with two equivalent Cd(1)S6 octahedra, and edges with four equivalent Sn(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Ag(1) and three equivalent Sn(1) atoms. In the second S site, S(2) is bonded to one Ag(1), one Cd(1), and two equivalent Sn(1) atoms to form a mixture of distorted corner and edge-sharing SCdAgSn2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_CdAg2Sn3S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.764
_cell_length_b   7.764
_cell_length_c   7.764
_cell_angle_alpha   59.356
_cell_angle_beta   59.356
_cell_angle_gamma   59.356
_symmetry_Int_Tables_number   1
_cell_volume   326.035
_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
  Cd  Cd0  1  0.500  0.500  0.500  1.0
  Ag  Ag1  1  0.119  0.119  0.119  1.0
  Ag  Ag2  1  0.881  0.881  0.881  1.0
  Sn  Sn3  1  0.000  0.500  0.500  1.0
  Sn  Sn4  1  0.500  0.500  0.000  1.0
  Sn  Sn5  1  0.500  0.000  0.500  1.0
  S  S6  1  0.256  0.256  0.256  1.0
  S  S7  1  0.719  0.254  0.254  1.0
  S  S8  1  0.254  0.254  0.719  1.0
  S  S9  1  0.254  0.719  0.254  1.0
  S  S10  1  0.744  0.744  0.744  1.0
  S  S11  1  0.281  0.746  0.746  1.0
  S  S12  1  0.746  0.746  0.281  1.0
  S  S13  1  0.746  0.281  0.746  1.0
[/CIF]
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