The structure described by CsCeSiS4 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 8-coordinate geometry to one S(2), three equivalent S(1), and four equivalent S(3) atoms. Ce(1) is bonded in a 6-coordinate geometry to one S(1), three equivalent S(2), and four equivalent S(3) atoms. Si(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 in a 5-coordinate geometry to three equivalent Cs(1), one Ce(1), and one Si(1) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Cs(1), three equivalent Ce(1), and one Si(1) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to two equivalent Cs(1), two equivalent Ce(1), and one Si(1) atom. is represented by the CIF file [CIF]
data_CsCeSiS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.537
_cell_length_b   6.723
_cell_length_c   18.006
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   791.377
_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  0.489  0.750  0.217  1.0
  Cs  Cs1  1  0.011  0.750  0.717  1.0
  Cs  Cs2  1  0.511  0.250  0.783  1.0
  Cs  Cs3  1  0.989  0.250  0.283  1.0
  Ce  Ce4  1  0.287  0.750  0.477  1.0
  Ce  Ce5  1  0.213  0.750  0.977  1.0
  Ce  Ce6  1  0.713  0.250  0.523  1.0
  Ce  Ce7  1  0.787  0.250  0.023  1.0
  Si  Si8  1  0.785  0.750  0.415  1.0
  Si  Si9  1  0.715  0.750  0.915  1.0
  Si  Si10  1  0.215  0.250  0.585  1.0
  Si  Si11  1  0.285  0.250  0.085  1.0
  S  S12  1  0.043  0.750  0.345  1.0
  S  S13  1  0.457  0.750  0.845  1.0
  S  S14  1  0.957  0.250  0.655  1.0
  S  S15  1  0.543  0.250  0.155  1.0
  S  S16  1  0.628  0.750  0.028  1.0
  S  S17  1  0.872  0.750  0.528  1.0
  S  S18  1  0.372  0.250  0.972  1.0
  S  S19  1  0.128  0.250  0.472  1.0
  S  S20  1  0.590  0.501  0.397  1.0
  S  S21  1  0.910  0.999  0.897  1.0
  S  S22  1  0.410  0.001  0.603  1.0
  S  S23  1  0.090  0.499  0.103  1.0
  S  S24  1  0.410  0.499  0.603  1.0
  S  S25  1  0.090  0.001  0.103  1.0
  S  S26  1  0.590  0.999  0.397  1.0
  S  S27  1  0.910  0.501  0.897  1.0
[/CIF]
.
The structure described by CsCeSiS4 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 8-coordinate geometry to one S(2), three equivalent S(1), and four equivalent S(3) atoms. Ce(1) is bonded in a 6-coordinate geometry to one S(1), three equivalent S(2), and four equivalent S(3) atoms. Si(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 in a 5-coordinate geometry to three equivalent Cs(1), one Ce(1), and one Si(1) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Cs(1), three equivalent Ce(1), and one Si(1) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to two equivalent Cs(1), two equivalent Ce(1), and one Si(1) atom. is represented by the CIF file [CIF]
data_CsCeSiS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.537
_cell_length_b   6.723
_cell_length_c   18.006
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   791.377
_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  0.489  0.750  0.217  1.0
  Cs  Cs1  1  0.011  0.750  0.717  1.0
  Cs  Cs2  1  0.511  0.250  0.783  1.0
  Cs  Cs3  1  0.989  0.250  0.283  1.0
  Ce  Ce4  1  0.287  0.750  0.477  1.0
  Ce  Ce5  1  0.213  0.750  0.977  1.0
  Ce  Ce6  1  0.713  0.250  0.523  1.0
  Ce  Ce7  1  0.787  0.250  0.023  1.0
  Si  Si8  1  0.785  0.750  0.415  1.0
  Si  Si9  1  0.715  0.750  0.915  1.0
  Si  Si10  1  0.215  0.250  0.585  1.0
  Si  Si11  1  0.285  0.250  0.085  1.0
  S  S12  1  0.043  0.750  0.345  1.0
  S  S13  1  0.457  0.750  0.845  1.0
  S  S14  1  0.957  0.250  0.655  1.0
  S  S15  1  0.543  0.250  0.155  1.0
  S  S16  1  0.628  0.750  0.028  1.0
  S  S17  1  0.872  0.750  0.528  1.0
  S  S18  1  0.372  0.250  0.972  1.0
  S  S19  1  0.128  0.250  0.472  1.0
  S  S20  1  0.590  0.501  0.397  1.0
  S  S21  1  0.910  0.999  0.897  1.0
  S  S22  1  0.410  0.001  0.603  1.0
  S  S23  1  0.090  0.499  0.103  1.0
  S  S24  1  0.410  0.499  0.603  1.0
  S  S25  1  0.090  0.001  0.103  1.0
  S  S26  1  0.590  0.999  0.397  1.0
  S  S27  1  0.910  0.501  0.897  1.0
[/CIF]
.