The material structure described by Cs(SbS2)2 crystallizes in the triclinic P-1 space group. Cs(1) is bonded in a 9-coordinate geometry to one S(4), two equivalent S(1), three equivalent S(2), and four equivalent S(3) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted see-saw-like geometry to one S(1), one S(2), one S(3), and one S(4) atom. In the second Sb site, Sb(2) is bonded in a rectangular see-saw-like geometry to one S(1), one S(2), and two equivalent S(4) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to two equivalent Cs(1), one Sb(1), and one Sb(2) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to three equivalent Cs(1), one Sb(1), and one Sb(2) atom. In the third S site, S(3) is bonded in a 6-coordinate geometry to four equivalent Cs(1), one Sb(1), and one S(3) atom. In the fourth S site, S(4) is bonded to one Cs(1), one Sb(1), and two equivalent Sb(2) atoms to form distorted edge-sharing SCsSb3 trigonal pyramids. is represented by the CIF card [CIF]
data_Cs(SbS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.668
_cell_length_b   6.719
_cell_length_c   9.718
_cell_angle_alpha   80.543
_cell_angle_beta   89.617
_cell_angle_gamma   76.238
_symmetry_Int_Tables_number   1
_cell_volume   416.924
_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  0.687  0.159  0.074  1.0
  Cs  Cs1  1  0.313  0.841  0.926  1.0
  Sb  Sb2  1  0.097  0.406  0.320  1.0
  Sb  Sb3  1  0.903  0.594  0.680  1.0
  Sb  Sb4  1  0.344  0.816  0.449  1.0
  Sb  Sb5  1  0.656  0.184  0.551  1.0
  S  S6  1  0.413  0.528  0.279  1.0
  S  S7  1  0.587  0.472  0.721  1.0
  S  S8  1  0.197  0.073  0.234  1.0
  S  S9  1  0.803  0.927  0.766  1.0
  S  S10  1  0.918  0.573  0.077  1.0
  S  S11  1  0.082  0.427  0.923  1.0
  S  S12  1  0.302  0.159  0.587  1.0
  S  S13  1  0.698  0.841  0.413  1.0
[/CIF]
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The material structure described by Cs(SbS2)2 crystallizes in the triclinic P-1 space group. Cs(1) is bonded in a 9-coordinate geometry to one S(4), two equivalent S(1), three equivalent S(2), and four equivalent S(3) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted see-saw-like geometry to one S(1), one S(2), one S(3), and one S(4) atom. In the second Sb site, Sb(2) is bonded in a rectangular see-saw-like geometry to one S(1), one S(2), and two equivalent S(4) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to two equivalent Cs(1), one Sb(1), and one Sb(2) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to three equivalent Cs(1), one Sb(1), and one Sb(2) atom. In the third S site, S(3) is bonded in a 6-coordinate geometry to four equivalent Cs(1), one Sb(1), and one S(3) atom. In the fourth S site, S(4) is bonded to one Cs(1), one Sb(1), and two equivalent Sb(2) atoms to form distorted edge-sharing SCsSb3 trigonal pyramids. is represented by the CIF card [CIF]
data_Cs(SbS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.668
_cell_length_b   6.719
_cell_length_c   9.718
_cell_angle_alpha   80.543
_cell_angle_beta   89.617
_cell_angle_gamma   76.238
_symmetry_Int_Tables_number   1
_cell_volume   416.924
_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  0.687  0.159  0.074  1.0
  Cs  Cs1  1  0.313  0.841  0.926  1.0
  Sb  Sb2  1  0.097  0.406  0.320  1.0
  Sb  Sb3  1  0.903  0.594  0.680  1.0
  Sb  Sb4  1  0.344  0.816  0.449  1.0
  Sb  Sb5  1  0.656  0.184  0.551  1.0
  S  S6  1  0.413  0.528  0.279  1.0
  S  S7  1  0.587  0.472  0.721  1.0
  S  S8  1  0.197  0.073  0.234  1.0
  S  S9  1  0.803  0.927  0.766  1.0
  S  S10  1  0.918  0.573  0.077  1.0
  S  S11  1  0.082  0.427  0.923  1.0
  S  S12  1  0.302  0.159  0.587  1.0
  S  S13  1  0.698  0.841  0.413  1.0
[/CIF]
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