The crystal structure described by Cs3SbS4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 5-coordinate geometry to one S(1), two equivalent S(2), and two equivalent S(3) atoms. In the second Cs site, Cs(2) is bonded in a 7-coordinate geometry to two equivalent S(1), two equivalent S(2), and three equivalent S(3) atoms. Sb(1) is bonded in a tetrahedral geometry to one S(1), one S(2), and two equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Cs(1), four equivalent Cs(2), and one Sb(1) atom to form edge-sharing SCs5Sb octahedra. In the second S site, S(2) is bonded in a 7-coordinate geometry to two equivalent Cs(1), four equivalent Cs(2), and one Sb(1) atom. In the third S site, S(3) is bonded in a 1-coordinate geometry to one Cs(1), three equivalent Cs(2), and one Sb(1) atom. is represented by the CIF file [CIF]
data_Cs3SbS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.022
_cell_length_b   10.125
_cell_length_c   11.764
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1193.623
_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  0.851  0.914  0.750  1.0
  Cs  Cs1  1  0.351  0.586  0.750  1.0
  Cs  Cs2  1  0.149  0.086  0.250  1.0
  Cs  Cs3  1  0.649  0.414  0.250  1.0
  Cs  Cs4  1  0.047  0.295  0.542  1.0
  Cs  Cs5  1  0.547  0.205  0.958  1.0
  Cs  Cs6  1  0.953  0.705  0.042  1.0
  Cs  Cs7  1  0.453  0.795  0.458  1.0
  Cs  Cs8  1  0.953  0.705  0.458  1.0
  Cs  Cs9  1  0.453  0.795  0.042  1.0
  Cs  Cs10  1  0.047  0.295  0.958  1.0
  Cs  Cs11  1  0.547  0.205  0.542  1.0
  Sb  Sb12  1  0.775  0.481  0.750  1.0
  Sb  Sb13  1  0.275  0.019  0.750  1.0
  Sb  Sb14  1  0.225  0.519  0.250  1.0
  Sb  Sb15  1  0.725  0.981  0.250  1.0
  S  S16  1  0.797  0.250  0.750  1.0
  S  S17  1  0.297  0.250  0.750  1.0
  S  S18  1  0.203  0.750  0.250  1.0
  S  S19  1  0.703  0.750  0.250  1.0
  S  S20  1  0.989  0.576  0.750  1.0
  S  S21  1  0.489  0.924  0.750  1.0
  S  S22  1  0.011  0.424  0.250  1.0
  S  S23  1  0.511  0.076  0.250  1.0
  S  S24  1  0.838  0.044  0.415  1.0
  S  S25  1  0.338  0.456  0.085  1.0
  S  S26  1  0.162  0.956  0.915  1.0
  S  S27  1  0.662  0.544  0.585  1.0
  S  S28  1  0.162  0.956  0.585  1.0
  S  S29  1  0.662  0.544  0.915  1.0
  S  S30  1  0.838  0.044  0.085  1.0
  S  S31  1  0.338  0.456  0.415  1.0
[/CIF]
.
The crystal structure described by Cs3SbS4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 5-coordinate geometry to one S(1), two equivalent S(2), and two equivalent S(3) atoms. In the second Cs site, Cs(2) is bonded in a 7-coordinate geometry to two equivalent S(1), two equivalent S(2), and three equivalent S(3) atoms. Sb(1) is bonded in a tetrahedral geometry to one S(1), one S(2), and two equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Cs(1), four equivalent Cs(2), and one Sb(1) atom to form edge-sharing SCs5Sb octahedra. In the second S site, S(2) is bonded in a 7-coordinate geometry to two equivalent Cs(1), four equivalent Cs(2), and one Sb(1) atom. In the third S site, S(3) is bonded in a 1-coordinate geometry to one Cs(1), three equivalent Cs(2), and one Sb(1) atom. is represented by the CIF file [CIF]
data_Cs3SbS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.022
_cell_length_b   10.125
_cell_length_c   11.764
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1193.623
_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  0.851  0.914  0.750  1.0
  Cs  Cs1  1  0.351  0.586  0.750  1.0
  Cs  Cs2  1  0.149  0.086  0.250  1.0
  Cs  Cs3  1  0.649  0.414  0.250  1.0
  Cs  Cs4  1  0.047  0.295  0.542  1.0
  Cs  Cs5  1  0.547  0.205  0.958  1.0
  Cs  Cs6  1  0.953  0.705  0.042  1.0
  Cs  Cs7  1  0.453  0.795  0.458  1.0
  Cs  Cs8  1  0.953  0.705  0.458  1.0
  Cs  Cs9  1  0.453  0.795  0.042  1.0
  Cs  Cs10  1  0.047  0.295  0.958  1.0
  Cs  Cs11  1  0.547  0.205  0.542  1.0
  Sb  Sb12  1  0.775  0.481  0.750  1.0
  Sb  Sb13  1  0.275  0.019  0.750  1.0
  Sb  Sb14  1  0.225  0.519  0.250  1.0
  Sb  Sb15  1  0.725  0.981  0.250  1.0
  S  S16  1  0.797  0.250  0.750  1.0
  S  S17  1  0.297  0.250  0.750  1.0
  S  S18  1  0.203  0.750  0.250  1.0
  S  S19  1  0.703  0.750  0.250  1.0
  S  S20  1  0.989  0.576  0.750  1.0
  S  S21  1  0.489  0.924  0.750  1.0
  S  S22  1  0.011  0.424  0.250  1.0
  S  S23  1  0.511  0.076  0.250  1.0
  S  S24  1  0.838  0.044  0.415  1.0
  S  S25  1  0.338  0.456  0.085  1.0
  S  S26  1  0.162  0.956  0.915  1.0
  S  S27  1  0.662  0.544  0.585  1.0
  S  S28  1  0.162  0.956  0.585  1.0
  S  S29  1  0.662  0.544  0.915  1.0
  S  S30  1  0.838  0.044  0.085  1.0
  S  S31  1  0.338  0.456  0.415  1.0
[/CIF]
.