The crystal structure described by Cs2WS4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 10-coordinate geometry to two equivalent S(2), two equivalent S(3), and six equivalent S(1) atoms. In the second Cs site, Cs(2) is bonded in a 9-coordinate geometry to two equivalent S(3), three equivalent S(2), and four equivalent S(1) atoms. W(1) is bonded in a tetrahedral geometry to one S(2), one S(3), and two equivalent S(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 1-coordinate geometry to two equivalent Cs(2), three equivalent Cs(1), and one W(1) atom. In the second S site, S(2) is bonded in a 6-coordinate geometry to two equivalent Cs(1), three equivalent Cs(2), and one W(1) atom. In the third S site, S(3) is bonded to two equivalent Cs(1), two equivalent Cs(2), and one W(1) atom to form distorted corner-sharing SCs4W square pyramids. is represented by the CIF file [CIF]
data_Cs2WS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.328
_cell_length_b   10.224
_cell_length_c   12.970
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   971.751
_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  0.250  0.845  0.104  1.0
  Cs  Cs1  1  0.750  0.155  0.896  1.0
  Cs  Cs2  1  0.250  0.345  0.396  1.0
  Cs  Cs3  1  0.750  0.655  0.604  1.0
  Cs  Cs4  1  0.250  0.535  0.828  1.0
  Cs  Cs5  1  0.750  0.465  0.172  1.0
  Cs  Cs6  1  0.250  0.035  0.672  1.0
  Cs  Cs7  1  0.750  0.965  0.328  1.0
  W  W8  1  0.250  0.754  0.424  1.0
  W  W9  1  0.750  0.246  0.576  1.0
  W  W10  1  0.250  0.254  0.076  1.0
  W  W11  1  0.750  0.746  0.924  1.0
  S  S12  1  0.507  0.334  0.646  1.0
  S  S13  1  0.007  0.666  0.354  1.0
  S  S14  1  0.993  0.834  0.854  1.0
  S  S15  1  0.493  0.166  0.146  1.0
  S  S16  1  0.493  0.666  0.354  1.0
  S  S17  1  0.993  0.334  0.646  1.0
  S  S18  1  0.007  0.166  0.146  1.0
  S  S19  1  0.507  0.834  0.854  1.0
  S  S20  1  0.250  0.966  0.396  1.0
  S  S21  1  0.750  0.034  0.604  1.0
  S  S22  1  0.250  0.466  0.104  1.0
  S  S23  1  0.750  0.534  0.896  1.0
  S  S24  1  0.750  0.788  0.090  1.0
  S  S25  1  0.250  0.212  0.910  1.0
  S  S26  1  0.750  0.288  0.410  1.0
  S  S27  1  0.250  0.712  0.590  1.0
[/CIF]
.
The crystal structure described by Cs2WS4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 10-coordinate geometry to two equivalent S(2), two equivalent S(3), and six equivalent S(1) atoms. In the second Cs site, Cs(2) is bonded in a 9-coordinate geometry to two equivalent S(3), three equivalent S(2), and four equivalent S(1) atoms. W(1) is bonded in a tetrahedral geometry to one S(2), one S(3), and two equivalent S(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 1-coordinate geometry to two equivalent Cs(2), three equivalent Cs(1), and one W(1) atom. In the second S site, S(2) is bonded in a 6-coordinate geometry to two equivalent Cs(1), three equivalent Cs(2), and one W(1) atom. In the third S site, S(3) is bonded to two equivalent Cs(1), two equivalent Cs(2), and one W(1) atom to form distorted corner-sharing SCs4W square pyramids. is represented by the CIF file [CIF]
data_Cs2WS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.328
_cell_length_b   10.224
_cell_length_c   12.970
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   971.751
_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  0.250  0.845  0.104  1.0
  Cs  Cs1  1  0.750  0.155  0.896  1.0
  Cs  Cs2  1  0.250  0.345  0.396  1.0
  Cs  Cs3  1  0.750  0.655  0.604  1.0
  Cs  Cs4  1  0.250  0.535  0.828  1.0
  Cs  Cs5  1  0.750  0.465  0.172  1.0
  Cs  Cs6  1  0.250  0.035  0.672  1.0
  Cs  Cs7  1  0.750  0.965  0.328  1.0
  W  W8  1  0.250  0.754  0.424  1.0
  W  W9  1  0.750  0.246  0.576  1.0
  W  W10  1  0.250  0.254  0.076  1.0
  W  W11  1  0.750  0.746  0.924  1.0
  S  S12  1  0.507  0.334  0.646  1.0
  S  S13  1  0.007  0.666  0.354  1.0
  S  S14  1  0.993  0.834  0.854  1.0
  S  S15  1  0.493  0.166  0.146  1.0
  S  S16  1  0.493  0.666  0.354  1.0
  S  S17  1  0.993  0.334  0.646  1.0
  S  S18  1  0.007  0.166  0.146  1.0
  S  S19  1  0.507  0.834  0.854  1.0
  S  S20  1  0.250  0.966  0.396  1.0
  S  S21  1  0.750  0.034  0.604  1.0
  S  S22  1  0.250  0.466  0.104  1.0
  S  S23  1  0.750  0.534  0.896  1.0
  S  S24  1  0.750  0.788  0.090  1.0
  S  S25  1  0.250  0.212  0.910  1.0
  S  S26  1  0.750  0.288  0.410  1.0
  S  S27  1  0.250  0.712  0.590  1.0
[/CIF]
.