The crystal structure described by CoAg2Sn3S8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. Co(1) is bonded to six equivalent S(1) atoms to form CoS6 octahedra that share corners with six equivalent Ag(1)S4 trigonal pyramids and edges with six equivalent Sn(1)S6 octahedra. Ag(1) is bonded to one S(2) and three equivalent S(1) atoms to form AgS4 trigonal pyramids that share corners with three equivalent Co(1)S6 octahedra and corners with nine equivalent Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-66°. Sn(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form SnS6 octahedra that share corners with six equivalent Ag(1)S4 trigonal pyramids, edges with two equivalent Co(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 Co(1), one Ag(1), and two equivalent Sn(1) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Ag(1) and three equivalent Sn(1) atoms. is represented by the CIF file [CIF]
data_CoAg2Sn3S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.388
_cell_length_b   7.388
_cell_length_c   7.388
_cell_angle_alpha   61.348
_cell_angle_beta   61.348
_cell_angle_gamma   61.348
_symmetry_Int_Tables_number   1
_cell_volume   293.786
_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
  Co  Co0  1  0.000  0.000  0.000  1.0
  Ag  Ag1  1  0.393  0.393  0.393  1.0
  Ag  Ag2  1  0.607  0.607  0.607  1.0
  Sn  Sn3  1  0.000  0.500  0.000  1.0
  Sn  Sn4  1  0.000  0.000  0.500  1.0
  Sn  Sn5  1  0.500  0.000  0.000  1.0
  S  S6  1  0.773  0.211  0.773  1.0
  S  S7  1  0.753  0.753  0.753  1.0
  S  S8  1  0.789  0.227  0.227  1.0
  S  S9  1  0.227  0.227  0.789  1.0
  S  S10  1  0.227  0.789  0.227  1.0
  S  S11  1  0.247  0.247  0.247  1.0
  S  S12  1  0.211  0.773  0.773  1.0
  S  S13  1  0.773  0.773  0.211  1.0
[/CIF]
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The crystal structure described by CoAg2Sn3S8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. Co(1) is bonded to six equivalent S(1) atoms to form CoS6 octahedra that share corners with six equivalent Ag(1)S4 trigonal pyramids and edges with six equivalent Sn(1)S6 octahedra. Ag(1) is bonded to one S(2) and three equivalent S(1) atoms to form AgS4 trigonal pyramids that share corners with three equivalent Co(1)S6 octahedra and corners with nine equivalent Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-66°. Sn(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form SnS6 octahedra that share corners with six equivalent Ag(1)S4 trigonal pyramids, edges with two equivalent Co(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 Co(1), one Ag(1), and two equivalent Sn(1) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Ag(1) and three equivalent Sn(1) atoms. is represented by the CIF file [CIF]
data_CoAg2Sn3S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.388
_cell_length_b   7.388
_cell_length_c   7.388
_cell_angle_alpha   61.348
_cell_angle_beta   61.348
_cell_angle_gamma   61.348
_symmetry_Int_Tables_number   1
_cell_volume   293.786
_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
  Co  Co0  1  0.000  0.000  0.000  1.0
  Ag  Ag1  1  0.393  0.393  0.393  1.0
  Ag  Ag2  1  0.607  0.607  0.607  1.0
  Sn  Sn3  1  0.000  0.500  0.000  1.0
  Sn  Sn4  1  0.000  0.000  0.500  1.0
  Sn  Sn5  1  0.500  0.000  0.000  1.0
  S  S6  1  0.773  0.211  0.773  1.0
  S  S7  1  0.753  0.753  0.753  1.0
  S  S8  1  0.789  0.227  0.227  1.0
  S  S9  1  0.227  0.227  0.789  1.0
  S  S10  1  0.227  0.789  0.227  1.0
  S  S11  1  0.247  0.247  0.247  1.0
  S  S12  1  0.211  0.773  0.773  1.0
  S  S13  1  0.773  0.773  0.211  1.0
[/CIF]
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