The compound described by Ag2FeSn3S8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. Fe(1) is bonded to six equivalent S(1) atoms to form FeS6 octahedra that share corners with six equivalent Ag(1)S4 tetrahedra 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 tetrahedra that share corners with three equivalent Fe(1)S6 octahedra and corners with nine equivalent Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 48-66°. 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 tetrahedra, edges with two equivalent Fe(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 distorted rectangular see-saw-like geometry to one Fe(1), one Ag(1), and two equivalent Sn(1) atoms. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Ag(1) and three equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeAg2Sn3S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.472
_cell_length_b   7.472
_cell_length_c   7.472
_cell_angle_alpha   60.776
_cell_angle_beta   60.776
_cell_angle_gamma   60.776
_symmetry_Int_Tables_number   1
_cell_volume   300.128
_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
  Fe  Fe0  1  0.000  0.000  0.000  1.0
  Ag  Ag1  1  0.384  0.384  0.384  1.0
  Ag  Ag2  1  0.616  0.616  0.616  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  0.780  0.207  0.780  1.0
  S  S7  1  0.754  0.754  0.754  1.0
  S  S8  1  0.793  0.220  0.220  1.0
  S  S9  1  0.220  0.220  0.793  1.0
  S  S10  1  0.220  0.793  0.220  1.0
  S  S11  1  0.246  0.246  0.246  1.0
  S  S12  1  0.207  0.780  0.780  1.0
  S  S13  1  0.780  0.780  0.207  1.0
[/CIF]
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The compound described by Ag2FeSn3S8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. Fe(1) is bonded to six equivalent S(1) atoms to form FeS6 octahedra that share corners with six equivalent Ag(1)S4 tetrahedra 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 tetrahedra that share corners with three equivalent Fe(1)S6 octahedra and corners with nine equivalent Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 48-66°. 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 tetrahedra, edges with two equivalent Fe(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 distorted rectangular see-saw-like geometry to one Fe(1), one Ag(1), and two equivalent Sn(1) atoms. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Ag(1) and three equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeAg2Sn3S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.472
_cell_length_b   7.472
_cell_length_c   7.472
_cell_angle_alpha   60.776
_cell_angle_beta   60.776
_cell_angle_gamma   60.776
_symmetry_Int_Tables_number   1
_cell_volume   300.128
_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
  Fe  Fe0  1  0.000  0.000  0.000  1.0
  Ag  Ag1  1  0.384  0.384  0.384  1.0
  Ag  Ag2  1  0.616  0.616  0.616  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  0.780  0.207  0.780  1.0
  S  S7  1  0.754  0.754  0.754  1.0
  S  S8  1  0.793  0.220  0.220  1.0
  S  S9  1  0.220  0.220  0.793  1.0
  S  S10  1  0.220  0.793  0.220  1.0
  S  S11  1  0.246  0.246  0.246  1.0
  S  S12  1  0.207  0.780  0.780  1.0
  S  S13  1  0.780  0.780  0.207  1.0
[/CIF]
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