The compound described by Ag2SiS3 is Chalcostibite-like structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 4-coordinate geometry to two equivalent S(1) and two equivalent S(3) atoms. In the second Ag site, Ag(2) is bonded in a 4-coordinate geometry to one S(1), one S(2), and two equivalent S(3) atoms. Si(1) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form edge-sharing SiS4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Ag(2), two equivalent Ag(1), and one Si(1) atom to form distorted corner-sharing SSiAg3 tetrahedra. In the second S site, S(2) is bonded in a distorted trigonal planar geometry to one Ag(2) and two equivalent Si(1) atoms. In the third S site, S(3) is bonded in a 5-coordinate geometry to two equivalent Ag(1), two equivalent Ag(2), and one Si(1) atom. is represented by the CIF file [CIF]
data_SiAg2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.719
_cell_length_b   6.743
_cell_length_c   13.437
_cell_angle_alpha   61.377
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   534.367
_cell_formula_units_Z   4
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
  Si  Si0  1  0.153  0.160  0.995  1.0
  Si  Si1  1  0.653  0.840  0.505  1.0
  Si  Si2  1  0.847  0.840  0.005  1.0
  Si  Si3  1  0.347  0.160  0.495  1.0
  Ag  Ag4  1  0.520  0.774  0.252  1.0
  Ag  Ag5  1  0.020  0.226  0.248  1.0
  Ag  Ag6  1  0.480  0.226  0.748  1.0
  Ag  Ag7  1  0.980  0.774  0.752  1.0
  Ag  Ag8  1  0.394  0.513  0.113  1.0
  Ag  Ag9  1  0.894  0.487  0.387  1.0
  Ag  Ag10  1  0.606  0.487  0.887  1.0
  Ag  Ag11  1  0.106  0.513  0.613  1.0
  S  S12  1  0.296  0.125  0.143  1.0
  S  S13  1  0.796  0.875  0.357  1.0
  S  S14  1  0.704  0.875  0.857  1.0
  S  S15  1  0.204  0.125  0.643  1.0
  S  S16  1  0.829  0.152  0.017  1.0
  S  S17  1  0.329  0.848  0.483  1.0
  S  S18  1  0.171  0.848  0.983  1.0
  S  S19  1  0.671  0.152  0.517  1.0
  S  S20  1  0.248  0.441  0.842  1.0
  S  S21  1  0.748  0.559  0.658  1.0
  S  S22  1  0.752  0.559  0.158  1.0
  S  S23  1  0.252  0.441  0.342  1.0
[/CIF]
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The compound described by Ag2SiS3 is Chalcostibite-like structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 4-coordinate geometry to two equivalent S(1) and two equivalent S(3) atoms. In the second Ag site, Ag(2) is bonded in a 4-coordinate geometry to one S(1), one S(2), and two equivalent S(3) atoms. Si(1) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form edge-sharing SiS4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Ag(2), two equivalent Ag(1), and one Si(1) atom to form distorted corner-sharing SSiAg3 tetrahedra. In the second S site, S(2) is bonded in a distorted trigonal planar geometry to one Ag(2) and two equivalent Si(1) atoms. In the third S site, S(3) is bonded in a 5-coordinate geometry to two equivalent Ag(1), two equivalent Ag(2), and one Si(1) atom. is represented by the CIF file [CIF]
data_SiAg2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.719
_cell_length_b   6.743
_cell_length_c   13.437
_cell_angle_alpha   61.377
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   534.367
_cell_formula_units_Z   4
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
  Si  Si0  1  0.153  0.160  0.995  1.0
  Si  Si1  1  0.653  0.840  0.505  1.0
  Si  Si2  1  0.847  0.840  0.005  1.0
  Si  Si3  1  0.347  0.160  0.495  1.0
  Ag  Ag4  1  0.520  0.774  0.252  1.0
  Ag  Ag5  1  0.020  0.226  0.248  1.0
  Ag  Ag6  1  0.480  0.226  0.748  1.0
  Ag  Ag7  1  0.980  0.774  0.752  1.0
  Ag  Ag8  1  0.394  0.513  0.113  1.0
  Ag  Ag9  1  0.894  0.487  0.387  1.0
  Ag  Ag10  1  0.606  0.487  0.887  1.0
  Ag  Ag11  1  0.106  0.513  0.613  1.0
  S  S12  1  0.296  0.125  0.143  1.0
  S  S13  1  0.796  0.875  0.357  1.0
  S  S14  1  0.704  0.875  0.857  1.0
  S  S15  1  0.204  0.125  0.643  1.0
  S  S16  1  0.829  0.152  0.017  1.0
  S  S17  1  0.329  0.848  0.483  1.0
  S  S18  1  0.171  0.848  0.983  1.0
  S  S19  1  0.671  0.152  0.517  1.0
  S  S20  1  0.248  0.441  0.842  1.0
  S  S21  1  0.748  0.559  0.658  1.0
  S  S22  1  0.752  0.559  0.158  1.0
  S  S23  1  0.252  0.441  0.342  1.0
[/CIF]
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