The compound described by Fe3Ag(SnS4)2 is Spinel-derived structured and crystallizes in the orthorhombic Imm2 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form FeS4 tetrahedra that share corners with six equivalent Fe(2)S6 octahedra and corners with six equivalent Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-65°. In the second Fe site, Fe(2) is bonded to one S(1), one S(3), two equivalent S(2), and two equivalent S(4) atoms to form FeS6 octahedra that share corners with three equivalent Fe(1)S4 tetrahedra, corners with three equivalent Ag(1)S4 tetrahedra, edges with two equivalent Fe(2)S6 octahedra, and edges with four equivalent Sn(1)S6 octahedra. Ag(1) is bonded to two equivalent S(3) and two equivalent S(4) atoms to form AgS4 tetrahedra that share corners with six equivalent Fe(2)S6 octahedra and corners with six equivalent Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 43-72°. Sn(1) is bonded to one S(2), one S(4), two equivalent S(1), and two equivalent S(3) atoms to form SnS6 octahedra that share corners with three equivalent Fe(1)S4 tetrahedra, corners with three equivalent Ag(1)S4 tetrahedra, edges with two equivalent Sn(1)S6 octahedra, and edges with four equivalent Fe(2)S6 octahedra. There are four inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(2), and two equivalent Sn(1) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Fe(1), two equivalent Fe(2), and one Sn(1) atom. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Fe(2), one Ag(1), and two equivalent Sn(1) atoms. In the fourth S site, S(4) is bonded to two equivalent Fe(2), one Ag(1), and one Sn(1) atom to form a mixture of distorted corner and edge-sharing SFe2AgSn trigonal pyramids. is represented by the CIF card [CIF]
data_Fe3Ag(SnS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.246
_cell_length_b   7.246
_cell_length_c   7.246
_cell_angle_alpha   121.554
_cell_angle_beta   118.749
_cell_angle_gamma   89.756
_symmetry_Int_Tables_number   1
_cell_volume   268.229
_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  0.006  0.006  0.000  1.0
  Fe  Fe1  1  0.625  0.378  0.753  1.0
  Fe  Fe2  1  0.625  0.871  0.247  1.0
  Ag  Ag3  1  0.229  0.729  0.500  1.0
  Sn  Sn4  1  0.620  0.375  0.246  1.0
  Sn  Sn5  1  0.129  0.375  0.754  1.0
  S  S6  1  0.854  0.095  0.240  1.0
  S  S7  1  0.854  0.614  0.760  1.0
  S  S8  1  0.843  0.124  0.719  1.0
  S  S9  1  0.405  0.124  0.281  1.0
  S  S10  1  0.406  0.660  0.253  1.0
  S  S11  1  0.406  0.153  0.747  1.0
  S  S12  1  0.424  0.623  0.801  1.0
  S  S13  1  0.822  0.623  0.199  1.0
[/CIF]
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The compound described by Fe3Ag(SnS4)2 is Spinel-derived structured and crystallizes in the orthorhombic Imm2 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form FeS4 tetrahedra that share corners with six equivalent Fe(2)S6 octahedra and corners with six equivalent Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-65°. In the second Fe site, Fe(2) is bonded to one S(1), one S(3), two equivalent S(2), and two equivalent S(4) atoms to form FeS6 octahedra that share corners with three equivalent Fe(1)S4 tetrahedra, corners with three equivalent Ag(1)S4 tetrahedra, edges with two equivalent Fe(2)S6 octahedra, and edges with four equivalent Sn(1)S6 octahedra. Ag(1) is bonded to two equivalent S(3) and two equivalent S(4) atoms to form AgS4 tetrahedra that share corners with six equivalent Fe(2)S6 octahedra and corners with six equivalent Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 43-72°. Sn(1) is bonded to one S(2), one S(4), two equivalent S(1), and two equivalent S(3) atoms to form SnS6 octahedra that share corners with three equivalent Fe(1)S4 tetrahedra, corners with three equivalent Ag(1)S4 tetrahedra, edges with two equivalent Sn(1)S6 octahedra, and edges with four equivalent Fe(2)S6 octahedra. There are four inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(2), and two equivalent Sn(1) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Fe(1), two equivalent Fe(2), and one Sn(1) atom. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Fe(2), one Ag(1), and two equivalent Sn(1) atoms. In the fourth S site, S(4) is bonded to two equivalent Fe(2), one Ag(1), and one Sn(1) atom to form a mixture of distorted corner and edge-sharing SFe2AgSn trigonal pyramids. is represented by the CIF card [CIF]
data_Fe3Ag(SnS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.246
_cell_length_b   7.246
_cell_length_c   7.246
_cell_angle_alpha   121.554
_cell_angle_beta   118.749
_cell_angle_gamma   89.756
_symmetry_Int_Tables_number   1
_cell_volume   268.229
_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  0.006  0.006  0.000  1.0
  Fe  Fe1  1  0.625  0.378  0.753  1.0
  Fe  Fe2  1  0.625  0.871  0.247  1.0
  Ag  Ag3  1  0.229  0.729  0.500  1.0
  Sn  Sn4  1  0.620  0.375  0.246  1.0
  Sn  Sn5  1  0.129  0.375  0.754  1.0
  S  S6  1  0.854  0.095  0.240  1.0
  S  S7  1  0.854  0.614  0.760  1.0
  S  S8  1  0.843  0.124  0.719  1.0
  S  S9  1  0.405  0.124  0.281  1.0
  S  S10  1  0.406  0.660  0.253  1.0
  S  S11  1  0.406  0.153  0.747  1.0
  S  S12  1  0.424  0.623  0.801  1.0
  S  S13  1  0.822  0.623  0.199  1.0
[/CIF]
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