The structure described by CsBiAg2S3 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 5-coordinate geometry to one S(2), two equivalent S(1), and two equivalent S(3) atoms. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a distorted linear geometry to two equivalent S(1) atoms. In the second Ag site, Ag(2) is bonded in a distorted rectangular see-saw-like geometry to one S(1), one S(3), and two equivalent S(2) atoms. Bi(1) is bonded to three equivalent S(2) and three equivalent S(3) atoms to form edge-sharing BiS6 octahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to two equivalent Cs(1), one Ag(2), and two equivalent Ag(1) atoms. In the second S site, S(2) is bonded to one Cs(1), two equivalent Ag(2), and three equivalent Bi(1) atoms to form SCsAg2Bi3 octahedra that share  a cornercorner with one S(3)Cs2AgBi3 octahedra, corners with two equivalent S(2)CsAg2Bi3 octahedra, edges with three equivalent S(2)CsAg2Bi3 octahedra, and edges with six equivalent S(3)Cs2AgBi3 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the third S site, S(3) is bonded to two equivalent Cs(1), one Ag(2), and three equivalent Bi(1) atoms to form SCs2AgBi3 octahedra that share  a cornercorner with one S(2)CsAg2Bi3 octahedra, corners with two equivalent S(3)Cs2AgBi3 octahedra, edges with three equivalent S(3)Cs2AgBi3 octahedra, and edges with six equivalent S(2)CsAg2Bi3 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. is represented by the CIF card [CIF]
data_CsAg2BiS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.310
_cell_length_b   7.061
_cell_length_c   13.613
_cell_angle_alpha   80.384
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   787.420
_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
  Cs  Cs0  1  0.615  0.685  0.179  1.0
  Cs  Cs1  1  0.115  0.815  0.821  1.0
  Cs  Cs2  1  0.385  0.315  0.821  1.0
  Cs  Cs3  1  0.885  0.185  0.179  1.0
  Ag  Ag4  1  0.252  0.970  0.087  1.0
  Ag  Ag5  1  0.752  0.530  0.913  1.0
  Ag  Ag6  1  0.748  0.030  0.913  1.0
  Ag  Ag7  1  0.248  0.470  0.087  1.0
  Ag  Ag8  1  0.140  0.651  0.268  1.0
  Ag  Ag9  1  0.640  0.849  0.732  1.0
  Ag  Ag10  1  0.860  0.349  0.732  1.0
  Ag  Ag11  1  0.360  0.151  0.268  1.0
  Bi  Bi12  1  0.368  0.757  0.501  1.0
  Bi  Bi13  1  0.868  0.743  0.499  1.0
  Bi  Bi14  1  0.632  0.243  0.499  1.0
  Bi  Bi15  1  0.132  0.257  0.501  1.0
  S  S16  1  0.054  0.722  0.090  1.0
  S  S17  1  0.554  0.778  0.910  1.0
  S  S18  1  0.946  0.278  0.910  1.0
  S  S19  1  0.446  0.222  0.090  1.0
  S  S20  1  0.144  0.951  0.378  1.0
  S  S21  1  0.644  0.549  0.622  1.0
  S  S22  1  0.856  0.049  0.622  1.0
  S  S23  1  0.356  0.451  0.378  1.0
  S  S24  1  0.628  0.956  0.383  1.0
  S  S25  1  0.128  0.544  0.617  1.0
  S  S26  1  0.372  0.044  0.617  1.0
  S  S27  1  0.872  0.456  0.383  1.0
[/CIF]
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The structure described by CsBiAg2S3 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 5-coordinate geometry to one S(2), two equivalent S(1), and two equivalent S(3) atoms. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a distorted linear geometry to two equivalent S(1) atoms. In the second Ag site, Ag(2) is bonded in a distorted rectangular see-saw-like geometry to one S(1), one S(3), and two equivalent S(2) atoms. Bi(1) is bonded to three equivalent S(2) and three equivalent S(3) atoms to form edge-sharing BiS6 octahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to two equivalent Cs(1), one Ag(2), and two equivalent Ag(1) atoms. In the second S site, S(2) is bonded to one Cs(1), two equivalent Ag(2), and three equivalent Bi(1) atoms to form SCsAg2Bi3 octahedra that share  a cornercorner with one S(3)Cs2AgBi3 octahedra, corners with two equivalent S(2)CsAg2Bi3 octahedra, edges with three equivalent S(2)CsAg2Bi3 octahedra, and edges with six equivalent S(3)Cs2AgBi3 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the third S site, S(3) is bonded to two equivalent Cs(1), one Ag(2), and three equivalent Bi(1) atoms to form SCs2AgBi3 octahedra that share  a cornercorner with one S(2)CsAg2Bi3 octahedra, corners with two equivalent S(3)Cs2AgBi3 octahedra, edges with three equivalent S(3)Cs2AgBi3 octahedra, and edges with six equivalent S(2)CsAg2Bi3 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. is represented by the CIF card [CIF]
data_CsAg2BiS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.310
_cell_length_b   7.061
_cell_length_c   13.613
_cell_angle_alpha   80.384
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   787.420
_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
  Cs  Cs0  1  0.615  0.685  0.179  1.0
  Cs  Cs1  1  0.115  0.815  0.821  1.0
  Cs  Cs2  1  0.385  0.315  0.821  1.0
  Cs  Cs3  1  0.885  0.185  0.179  1.0
  Ag  Ag4  1  0.252  0.970  0.087  1.0
  Ag  Ag5  1  0.752  0.530  0.913  1.0
  Ag  Ag6  1  0.748  0.030  0.913  1.0
  Ag  Ag7  1  0.248  0.470  0.087  1.0
  Ag  Ag8  1  0.140  0.651  0.268  1.0
  Ag  Ag9  1  0.640  0.849  0.732  1.0
  Ag  Ag10  1  0.860  0.349  0.732  1.0
  Ag  Ag11  1  0.360  0.151  0.268  1.0
  Bi  Bi12  1  0.368  0.757  0.501  1.0
  Bi  Bi13  1  0.868  0.743  0.499  1.0
  Bi  Bi14  1  0.632  0.243  0.499  1.0
  Bi  Bi15  1  0.132  0.257  0.501  1.0
  S  S16  1  0.054  0.722  0.090  1.0
  S  S17  1  0.554  0.778  0.910  1.0
  S  S18  1  0.946  0.278  0.910  1.0
  S  S19  1  0.446  0.222  0.090  1.0
  S  S20  1  0.144  0.951  0.378  1.0
  S  S21  1  0.644  0.549  0.622  1.0
  S  S22  1  0.856  0.049  0.622  1.0
  S  S23  1  0.356  0.451  0.378  1.0
  S  S24  1  0.628  0.956  0.383  1.0
  S  S25  1  0.128  0.544  0.617  1.0
  S  S26  1  0.372  0.044  0.617  1.0
  S  S27  1  0.872  0.456  0.383  1.0
[/CIF]
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