The compound described by CsAg3S2 crystallizes in the monoclinic C2/m space group. Cs(1) is bonded in a 7-coordinate geometry to three equivalent S(1) and four equivalent S(2) atoms. There are three inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a distorted trigonal planar geometry to one S(1) and two equivalent S(2) atoms. In the second Ag site, Ag(2) is bonded in a distorted trigonal non-coplanar geometry to one S(2) and two equivalent S(1) atoms. In the third Ag site, Ag(3) is bonded in a bent 120 degrees geometry to one S(1) and one S(2) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 7-coordinate geometry to three equivalent Cs(1), one Ag(1), one Ag(3), and two equivalent Ag(2) atoms. In the second S site, S(2) is bonded in a 8-coordinate geometry to four equivalent Cs(1), one Ag(2), one Ag(3), and two equivalent Ag(1) atoms. is represented by the CIF file [CIF]
data_CsAg3S2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.324
_cell_length_b   8.354
_cell_length_c   9.127
_cell_angle_alpha   112.076
_cell_angle_beta   90.000
_cell_angle_gamma   105.000
_symmetry_Int_Tables_number   1
_cell_volume   293.392
_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
  Cs  Cs0  1  0.135  0.270  0.042  1.0
  Cs  Cs1  1  0.865  0.730  0.958  1.0
  Ag  Ag2  1  0.060  0.121  0.405  1.0
  Ag  Ag3  1  0.940  0.879  0.595  1.0
  Ag  Ag4  1  0.406  0.812  0.356  1.0
  Ag  Ag5  1  0.594  0.188  0.644  1.0
  Ag  Ag6  1  0.690  0.379  0.416  1.0
  Ag  Ag7  1  0.310  0.621  0.584  1.0
  S  S8  1  0.809  0.618  0.312  1.0
  S  S9  1  0.191  0.382  0.688  1.0
  S  S10  1  0.523  0.047  0.237  1.0
  S  S11  1  0.477  0.953  0.763  1.0
[/CIF]
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The compound described by CsAg3S2 crystallizes in the monoclinic C2/m space group. Cs(1) is bonded in a 7-coordinate geometry to three equivalent S(1) and four equivalent S(2) atoms. There are three inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a distorted trigonal planar geometry to one S(1) and two equivalent S(2) atoms. In the second Ag site, Ag(2) is bonded in a distorted trigonal non-coplanar geometry to one S(2) and two equivalent S(1) atoms. In the third Ag site, Ag(3) is bonded in a bent 120 degrees geometry to one S(1) and one S(2) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 7-coordinate geometry to three equivalent Cs(1), one Ag(1), one Ag(3), and two equivalent Ag(2) atoms. In the second S site, S(2) is bonded in a 8-coordinate geometry to four equivalent Cs(1), one Ag(2), one Ag(3), and two equivalent Ag(1) atoms. is represented by the CIF file [CIF]
data_CsAg3S2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.324
_cell_length_b   8.354
_cell_length_c   9.127
_cell_angle_alpha   112.076
_cell_angle_beta   90.000
_cell_angle_gamma   105.000
_symmetry_Int_Tables_number   1
_cell_volume   293.392
_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
  Cs  Cs0  1  0.135  0.270  0.042  1.0
  Cs  Cs1  1  0.865  0.730  0.958  1.0
  Ag  Ag2  1  0.060  0.121  0.405  1.0
  Ag  Ag3  1  0.940  0.879  0.595  1.0
  Ag  Ag4  1  0.406  0.812  0.356  1.0
  Ag  Ag5  1  0.594  0.188  0.644  1.0
  Ag  Ag6  1  0.690  0.379  0.416  1.0
  Ag  Ag7  1  0.310  0.621  0.584  1.0
  S  S8  1  0.809  0.618  0.312  1.0
  S  S9  1  0.191  0.382  0.688  1.0
  S  S10  1  0.523  0.047  0.237  1.0
  S  S11  1  0.477  0.953  0.763  1.0
[/CIF]
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