The material described by Ag2FeSiS4 is Stannite-like structured and crystallizes in the monoclinic Pc space group. Fe(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form FeS4 tetrahedra that share corners with four equivalent Ag(1)S4 tetrahedra, corners with four equivalent Ag(2)S4 tetrahedra, and corners with four equivalent Si(1)S4 tetrahedra. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form AgS4 tetrahedra that share corners with four equivalent Fe(1)S4 tetrahedra, corners with four equivalent Ag(2)S4 tetrahedra, and corners with four equivalent Si(1)S4 tetrahedra. In the second Ag site, Ag(2) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form AgS4 tetrahedra that share corners with four equivalent Fe(1)S4 tetrahedra, corners with four equivalent Ag(1)S4 tetrahedra, and corners with four equivalent Si(1)S4 tetrahedra. Si(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form SiS4 tetrahedra that share corners with four equivalent Fe(1)S4 tetrahedra, corners with four equivalent Ag(1)S4 tetrahedra, and corners with four equivalent Ag(2)S4 tetrahedra. There are four inequivalent S sites. In the first S site, S(1) is bonded to one Fe(1), one Ag(1), one Ag(2), and one Si(1) atom to form corner-sharing SFeSiAg2 tetrahedra. In the second S site, S(2) is bonded to one Fe(1), one Ag(1), one Ag(2), and one Si(1) atom to form corner-sharing SFeSiAg2 tetrahedra. In the third S site, S(3) is bonded to one Fe(1), one Ag(1), one Ag(2), and one Si(1) atom to form distorted corner-sharing SFeSiAg2 tetrahedra. In the fourth S site, S(4) is bonded to one Fe(1), one Ag(1), one Ag(2), and one Si(1) atom to form corner-sharing SFeSiAg2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeSi(AgS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.639
_cell_length_b   6.446
_cell_length_c   10.136
_cell_angle_alpha   50.970
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   336.963
_cell_formula_units_Z   2
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  0.684  0.601  0.680  1.0
  Fe  Fe1  1  0.316  0.601  0.180  1.0
  Si  Si2  1  0.186  0.356  0.926  1.0
  Si  Si3  1  0.814  0.356  0.426  1.0
  Ag  Ag4  1  0.680  0.093  0.173  1.0
  Ag  Ag5  1  0.320  0.093  0.673  1.0
  Ag  Ag6  1  0.851  0.859  0.920  1.0
  Ag  Ag7  1  0.149  0.859  0.420  1.0
  S  S8  1  0.875  0.470  0.912  1.0
  S  S9  1  0.125  0.470  0.412  1.0
  S  S10  1  0.318  0.269  0.150  1.0
  S  S11  1  0.682  0.269  0.650  1.0
  S  S12  1  0.800  0.004  0.444  1.0
  S  S13  1  0.200  0.004  0.944  1.0
  S  S14  1  0.656  0.675  0.199  1.0
  S  S15  1  0.344  0.675  0.699  1.0
[/CIF]
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The material described by Ag2FeSiS4 is Stannite-like structured and crystallizes in the monoclinic Pc space group. Fe(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form FeS4 tetrahedra that share corners with four equivalent Ag(1)S4 tetrahedra, corners with four equivalent Ag(2)S4 tetrahedra, and corners with four equivalent Si(1)S4 tetrahedra. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form AgS4 tetrahedra that share corners with four equivalent Fe(1)S4 tetrahedra, corners with four equivalent Ag(2)S4 tetrahedra, and corners with four equivalent Si(1)S4 tetrahedra. In the second Ag site, Ag(2) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form AgS4 tetrahedra that share corners with four equivalent Fe(1)S4 tetrahedra, corners with four equivalent Ag(1)S4 tetrahedra, and corners with four equivalent Si(1)S4 tetrahedra. Si(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form SiS4 tetrahedra that share corners with four equivalent Fe(1)S4 tetrahedra, corners with four equivalent Ag(1)S4 tetrahedra, and corners with four equivalent Ag(2)S4 tetrahedra. There are four inequivalent S sites. In the first S site, S(1) is bonded to one Fe(1), one Ag(1), one Ag(2), and one Si(1) atom to form corner-sharing SFeSiAg2 tetrahedra. In the second S site, S(2) is bonded to one Fe(1), one Ag(1), one Ag(2), and one Si(1) atom to form corner-sharing SFeSiAg2 tetrahedra. In the third S site, S(3) is bonded to one Fe(1), one Ag(1), one Ag(2), and one Si(1) atom to form distorted corner-sharing SFeSiAg2 tetrahedra. In the fourth S site, S(4) is bonded to one Fe(1), one Ag(1), one Ag(2), and one Si(1) atom to form corner-sharing SFeSiAg2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeSi(AgS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.639
_cell_length_b   6.446
_cell_length_c   10.136
_cell_angle_alpha   50.970
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   336.963
_cell_formula_units_Z   2
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  0.684  0.601  0.680  1.0
  Fe  Fe1  1  0.316  0.601  0.180  1.0
  Si  Si2  1  0.186  0.356  0.926  1.0
  Si  Si3  1  0.814  0.356  0.426  1.0
  Ag  Ag4  1  0.680  0.093  0.173  1.0
  Ag  Ag5  1  0.320  0.093  0.673  1.0
  Ag  Ag6  1  0.851  0.859  0.920  1.0
  Ag  Ag7  1  0.149  0.859  0.420  1.0
  S  S8  1  0.875  0.470  0.912  1.0
  S  S9  1  0.125  0.470  0.412  1.0
  S  S10  1  0.318  0.269  0.150  1.0
  S  S11  1  0.682  0.269  0.650  1.0
  S  S12  1  0.800  0.004  0.444  1.0
  S  S13  1  0.200  0.004  0.944  1.0
  S  S14  1  0.656  0.675  0.199  1.0
  S  S15  1  0.344  0.675  0.699  1.0
[/CIF]
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