The material structure described by CsSbS2 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 9-coordinate geometry to one Sb(1), four equivalent S(1), and four equivalent S(2) atoms. Sb(1) is bonded in a 5-coordinate geometry to one Cs(1), two equivalent S(1), and two equivalent S(2) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to four equivalent Cs(1) and two equivalent Sb(1) atoms to form a mixture of distorted edge, face, and corner-sharing SCs4Sb2 octahedra. The corner-sharing octahedral tilt angles range from 43-44°. In the second S site, S(2) is bonded in a 6-coordinate geometry to four equivalent Cs(1) and two equivalent Sb(1) atoms. is represented by the CIF file [CIF]
data_CsSbS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.146
_cell_length_b   7.736
_cell_length_c   9.933
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   102.137
_symmetry_Int_Tables_number   1
_cell_volume   536.842
_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  0.212  0.347  0.430  1.0
  Cs  Cs1  1  0.712  0.347  0.070  1.0
  Cs  Cs2  1  0.788  0.653  0.570  1.0
  Cs  Cs3  1  0.288  0.653  0.930  1.0
  Sb  Sb4  1  0.858  0.905  0.166  1.0
  Sb  Sb5  1  0.142  0.095  0.834  1.0
  Sb  Sb6  1  0.358  0.905  0.334  1.0
  Sb  Sb7  1  0.642  0.095  0.666  1.0
  S  S8  1  0.452  0.308  0.745  1.0
  S  S9  1  0.048  0.692  0.245  1.0
  S  S10  1  0.304  0.815  0.563  1.0
  S  S11  1  0.196  0.185  0.063  1.0
  S  S12  1  0.952  0.308  0.755  1.0
  S  S13  1  0.548  0.692  0.255  1.0
  S  S14  1  0.804  0.815  0.937  1.0
  S  S15  1  0.696  0.185  0.437  1.0
[/CIF]
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The material structure described by CsSbS2 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 9-coordinate geometry to one Sb(1), four equivalent S(1), and four equivalent S(2) atoms. Sb(1) is bonded in a 5-coordinate geometry to one Cs(1), two equivalent S(1), and two equivalent S(2) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to four equivalent Cs(1) and two equivalent Sb(1) atoms to form a mixture of distorted edge, face, and corner-sharing SCs4Sb2 octahedra. The corner-sharing octahedral tilt angles range from 43-44°. In the second S site, S(2) is bonded in a 6-coordinate geometry to four equivalent Cs(1) and two equivalent Sb(1) atoms. is represented by the CIF file [CIF]
data_CsSbS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.146
_cell_length_b   7.736
_cell_length_c   9.933
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   102.137
_symmetry_Int_Tables_number   1
_cell_volume   536.842
_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  0.212  0.347  0.430  1.0
  Cs  Cs1  1  0.712  0.347  0.070  1.0
  Cs  Cs2  1  0.788  0.653  0.570  1.0
  Cs  Cs3  1  0.288  0.653  0.930  1.0
  Sb  Sb4  1  0.858  0.905  0.166  1.0
  Sb  Sb5  1  0.142  0.095  0.834  1.0
  Sb  Sb6  1  0.358  0.905  0.334  1.0
  Sb  Sb7  1  0.642  0.095  0.666  1.0
  S  S8  1  0.452  0.308  0.745  1.0
  S  S9  1  0.048  0.692  0.245  1.0
  S  S10  1  0.304  0.815  0.563  1.0
  S  S11  1  0.196  0.185  0.063  1.0
  S  S12  1  0.952  0.308  0.755  1.0
  S  S13  1  0.548  0.692  0.255  1.0
  S  S14  1  0.804  0.815  0.937  1.0
  S  S15  1  0.696  0.185  0.437  1.0
[/CIF]
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