The material structure described by Cs3SbS3 crystallizes in the cubic P2_13 space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 6-coordinate geometry to six equivalent S(1) atoms. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to six equivalent S(1) atoms. In the third Cs site, Cs(3) is bonded in a 6-coordinate geometry to six equivalent S(1) atoms. Sb(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent S(1) atoms. S(1) is bonded in a 7-coordinate geometry to two equivalent Cs(1), two equivalent Cs(2), two equivalent Cs(3), and one Sb(1) atom. is represented by the CIF card [CIF]
data_Cs3SbS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.379
_cell_length_b   10.379
_cell_length_c   10.379
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1118.089
_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  0.442  0.942  0.558  1.0
  Cs  Cs1  1  0.942  0.558  0.442  1.0
  Cs  Cs2  1  0.558  0.442  0.942  1.0
  Cs  Cs3  1  0.058  0.058  0.058  1.0
  Cs  Cs4  1  0.939  0.439  0.061  1.0
  Cs  Cs5  1  0.439  0.061  0.939  1.0
  Cs  Cs6  1  0.061  0.939  0.439  1.0
  Cs  Cs7  1  0.561  0.561  0.561  1.0
  Cs  Cs8  1  0.678  0.178  0.322  1.0
  Cs  Cs9  1  0.178  0.322  0.678  1.0
  Cs  Cs10  1  0.322  0.678  0.178  1.0
  Cs  Cs11  1  0.822  0.822  0.822  1.0
  Sb  Sb12  1  0.224  0.724  0.776  1.0
  Sb  Sb13  1  0.724  0.776  0.224  1.0
  Sb  Sb14  1  0.776  0.224  0.724  1.0
  Sb  Sb15  1  0.276  0.276  0.276  1.0
  S  S16  1  0.158  0.949  0.758  1.0
  S  S17  1  0.242  0.658  0.551  1.0
  S  S18  1  0.449  0.742  0.842  1.0
  S  S19  1  0.658  0.551  0.242  1.0
  S  S20  1  0.742  0.842  0.449  1.0
  S  S21  1  0.949  0.758  0.158  1.0
  S  S22  1  0.842  0.449  0.742  1.0
  S  S23  1  0.758  0.158  0.949  1.0
  S  S24  1  0.551  0.242  0.658  1.0
  S  S25  1  0.342  0.051  0.258  1.0
  S  S26  1  0.258  0.342  0.051  1.0
  S  S27  1  0.051  0.258  0.342  1.0
[/CIF]
.
The material structure described by Cs3SbS3 crystallizes in the cubic P2_13 space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 6-coordinate geometry to six equivalent S(1) atoms. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to six equivalent S(1) atoms. In the third Cs site, Cs(3) is bonded in a 6-coordinate geometry to six equivalent S(1) atoms. Sb(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent S(1) atoms. S(1) is bonded in a 7-coordinate geometry to two equivalent Cs(1), two equivalent Cs(2), two equivalent Cs(3), and one Sb(1) atom. is represented by the CIF card [CIF]
data_Cs3SbS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.379
_cell_length_b   10.379
_cell_length_c   10.379
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1118.089
_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  0.442  0.942  0.558  1.0
  Cs  Cs1  1  0.942  0.558  0.442  1.0
  Cs  Cs2  1  0.558  0.442  0.942  1.0
  Cs  Cs3  1  0.058  0.058  0.058  1.0
  Cs  Cs4  1  0.939  0.439  0.061  1.0
  Cs  Cs5  1  0.439  0.061  0.939  1.0
  Cs  Cs6  1  0.061  0.939  0.439  1.0
  Cs  Cs7  1  0.561  0.561  0.561  1.0
  Cs  Cs8  1  0.678  0.178  0.322  1.0
  Cs  Cs9  1  0.178  0.322  0.678  1.0
  Cs  Cs10  1  0.322  0.678  0.178  1.0
  Cs  Cs11  1  0.822  0.822  0.822  1.0
  Sb  Sb12  1  0.224  0.724  0.776  1.0
  Sb  Sb13  1  0.724  0.776  0.224  1.0
  Sb  Sb14  1  0.776  0.224  0.724  1.0
  Sb  Sb15  1  0.276  0.276  0.276  1.0
  S  S16  1  0.158  0.949  0.758  1.0
  S  S17  1  0.242  0.658  0.551  1.0
  S  S18  1  0.449  0.742  0.842  1.0
  S  S19  1  0.658  0.551  0.242  1.0
  S  S20  1  0.742  0.842  0.449  1.0
  S  S21  1  0.949  0.758  0.158  1.0
  S  S22  1  0.842  0.449  0.742  1.0
  S  S23  1  0.758  0.158  0.949  1.0
  S  S24  1  0.551  0.242  0.658  1.0
  S  S25  1  0.342  0.051  0.258  1.0
  S  S26  1  0.258  0.342  0.051  1.0
  S  S27  1  0.051  0.258  0.342  1.0
[/CIF]
.