The material structure described by Cs2CeAsS3Cl2 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 7-coordinate geometry to one S(1), two equivalent S(2), one Cl(1), and three equivalent Cl(2) atoms. In the second Cs site, Cs(2) is bonded in a 9-coordinate geometry to one S(1), four equivalent S(2), one Cl(2), and three equivalent Cl(1) atoms. Ce(1) is bonded in a 9-coordinate geometry to three equivalent S(1), four equivalent S(2), one Cl(1), and one Cl(2) atom. As(1) is bonded in a 3-coordinate geometry to one S(1) and two equivalent S(2) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one Cs(1), one Cs(2), three equivalent Ce(1), and one As(1) atom. In the second S site, S(2) is bonded in a 6-coordinate geometry to one Cs(1), two equivalent Cs(2), two equivalent Ce(1), and one As(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 5-coordinate geometry to one Cs(1), three equivalent Cs(2), and one Ce(1) atom. In the second Cl site, Cl(2) is bonded in a 5-coordinate geometry to one Cs(2), three equivalent Cs(1), and one Ce(1) atom. is represented by the CIF file [CIF]
data_Cs2CeAsS3Cl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.701
_cell_length_b   9.550
_cell_length_c   17.983
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1150.879
_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  0.838  0.219  1.0
  Cs  Cs1  1  0.750  0.338  0.281  1.0
  Cs  Cs2  1  0.250  0.662  0.719  1.0
  Cs  Cs3  1  0.250  0.959  0.928  1.0
  Cs  Cs4  1  0.750  0.041  0.072  1.0
  Cs  Cs5  1  0.750  0.459  0.572  1.0
  Cs  Cs6  1  0.250  0.541  0.428  1.0
  Cs  Cs7  1  0.750  0.162  0.781  1.0
  Ce  Ce8  1  0.250  0.434  0.057  1.0
  Ce  Ce9  1  0.250  0.066  0.557  1.0
  Ce  Ce10  1  0.750  0.934  0.443  1.0
  Ce  Ce11  1  0.750  0.566  0.943  1.0
  As  As12  1  0.250  0.122  0.365  1.0
  As  As13  1  0.250  0.378  0.865  1.0
  As  As14  1  0.750  0.878  0.635  1.0
  As  As15  1  0.750  0.622  0.135  1.0
  S  S16  1  0.250  0.901  0.410  1.0
  S  S17  1  0.004  0.694  0.061  1.0
  S  S18  1  0.750  0.401  0.090  1.0
  S  S19  1  0.504  0.306  0.939  1.0
  S  S20  1  0.004  0.806  0.561  1.0
  S  S21  1  0.750  0.099  0.590  1.0
  S  S22  1  0.250  0.599  0.910  1.0
  S  S23  1  0.496  0.694  0.061  1.0
  S  S24  1  0.504  0.194  0.439  1.0
  S  S25  1  0.996  0.194  0.439  1.0
  S  S26  1  0.996  0.306  0.939  1.0
  S  S27  1  0.496  0.806  0.561  1.0
  Cl  Cl28  1  0.750  0.856  0.894  1.0
  Cl  Cl29  1  0.250  0.356  0.606  1.0
  Cl  Cl30  1  0.250  0.144  0.106  1.0
  Cl  Cl31  1  0.750  0.529  0.783  1.0
  Cl  Cl32  1  0.250  0.029  0.717  1.0
  Cl  Cl33  1  0.750  0.971  0.283  1.0
  Cl  Cl34  1  0.750  0.644  0.394  1.0
  Cl  Cl35  1  0.250  0.471  0.217  1.0
[/CIF]
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The material structure described by Cs2CeAsS3Cl2 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 7-coordinate geometry to one S(1), two equivalent S(2), one Cl(1), and three equivalent Cl(2) atoms. In the second Cs site, Cs(2) is bonded in a 9-coordinate geometry to one S(1), four equivalent S(2), one Cl(2), and three equivalent Cl(1) atoms. Ce(1) is bonded in a 9-coordinate geometry to three equivalent S(1), four equivalent S(2), one Cl(1), and one Cl(2) atom. As(1) is bonded in a 3-coordinate geometry to one S(1) and two equivalent S(2) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one Cs(1), one Cs(2), three equivalent Ce(1), and one As(1) atom. In the second S site, S(2) is bonded in a 6-coordinate geometry to one Cs(1), two equivalent Cs(2), two equivalent Ce(1), and one As(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 5-coordinate geometry to one Cs(1), three equivalent Cs(2), and one Ce(1) atom. In the second Cl site, Cl(2) is bonded in a 5-coordinate geometry to one Cs(2), three equivalent Cs(1), and one Ce(1) atom. is represented by the CIF file [CIF]
data_Cs2CeAsS3Cl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.701
_cell_length_b   9.550
_cell_length_c   17.983
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1150.879
_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  0.838  0.219  1.0
  Cs  Cs1  1  0.750  0.338  0.281  1.0
  Cs  Cs2  1  0.250  0.662  0.719  1.0
  Cs  Cs3  1  0.250  0.959  0.928  1.0
  Cs  Cs4  1  0.750  0.041  0.072  1.0
  Cs  Cs5  1  0.750  0.459  0.572  1.0
  Cs  Cs6  1  0.250  0.541  0.428  1.0
  Cs  Cs7  1  0.750  0.162  0.781  1.0
  Ce  Ce8  1  0.250  0.434  0.057  1.0
  Ce  Ce9  1  0.250  0.066  0.557  1.0
  Ce  Ce10  1  0.750  0.934  0.443  1.0
  Ce  Ce11  1  0.750  0.566  0.943  1.0
  As  As12  1  0.250  0.122  0.365  1.0
  As  As13  1  0.250  0.378  0.865  1.0
  As  As14  1  0.750  0.878  0.635  1.0
  As  As15  1  0.750  0.622  0.135  1.0
  S  S16  1  0.250  0.901  0.410  1.0
  S  S17  1  0.004  0.694  0.061  1.0
  S  S18  1  0.750  0.401  0.090  1.0
  S  S19  1  0.504  0.306  0.939  1.0
  S  S20  1  0.004  0.806  0.561  1.0
  S  S21  1  0.750  0.099  0.590  1.0
  S  S22  1  0.250  0.599  0.910  1.0
  S  S23  1  0.496  0.694  0.061  1.0
  S  S24  1  0.504  0.194  0.439  1.0
  S  S25  1  0.996  0.194  0.439  1.0
  S  S26  1  0.996  0.306  0.939  1.0
  S  S27  1  0.496  0.806  0.561  1.0
  Cl  Cl28  1  0.750  0.856  0.894  1.0
  Cl  Cl29  1  0.250  0.356  0.606  1.0
  Cl  Cl30  1  0.250  0.144  0.106  1.0
  Cl  Cl31  1  0.750  0.529  0.783  1.0
  Cl  Cl32  1  0.250  0.029  0.717  1.0
  Cl  Cl33  1  0.750  0.971  0.283  1.0
  Cl  Cl34  1  0.750  0.644  0.394  1.0
  Cl  Cl35  1  0.250  0.471  0.217  1.0
[/CIF]
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