The crystal structure described by Cs2Sb8S13 crystallizes in the triclinic P-1 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), one S(12), one S(2), one S(3), one S(5), one S(6), and one S(7) atom. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to one S(10), one S(11), one S(13), one S(5), one S(6), and one S(9) atom. There are eight inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted T-shaped geometry to one S(5), one S(6), and one S(9) atom. In the second Sb site, Sb(2) is bonded in a 4-coordinate geometry to one S(1), one S(10), one S(4), and one S(8) atom. In the third Sb site, Sb(3) is bonded in a 3-coordinate geometry to one S(2), one S(4), and one S(8) atom. In the fourth Sb site, Sb(4) is bonded in a 3-coordinate geometry to one S(10), one S(2), one S(3), one S(4), and one S(7) atom. In the fifth Sb site, Sb(5) is bonded in a rectangular see-saw-like geometry to one S(11), one S(12), one S(4), and one S(6) atom. In the sixth Sb site, Sb(6) is bonded in a distorted rectangular see-saw-like geometry to one S(1), one S(11), one S(13), and one S(4) atom. In the seventh Sb site, Sb(7) is bonded in a distorted T-shaped geometry to one S(13), one S(5), and one S(9) atom. In the eighth Sb site, Sb(8) is bonded in a distorted rectangular see-saw-like geometry to one S(12), one S(7), and two equivalent S(3) atoms. There are thirteen inequivalent S sites. In the first S site, S(1) is bonded in a distorted trigonal planar geometry to one Cs(1), one Sb(2), and one Sb(6) atom. In the second S site, S(2) is bonded in a distorted water-like geometry to one Cs(1), one Sb(3), and one Sb(4) atom. In the third S site, S(3) is bonded in a 4-coordinate geometry to one Cs(1), one Sb(4), and two equivalent Sb(8) atoms. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to one Sb(2), one Sb(3), one Sb(4), one Sb(5), and one Sb(6) atom. In the fifth S site, S(5) is bonded to one Cs(1), one Cs(2), one Sb(1), and one Sb(7) atom to form a mixture of distorted corner and edge-sharing SCs2Sb2 tetrahedra. In the sixth S site, S(6) is bonded to one Cs(1), one Cs(2), one Sb(1), and one Sb(5) atom to form a mixture of distorted corner and edge-sharing SCs2Sb2 tetrahedra. In the seventh S site, S(7) is bonded in a distorted trigonal non-coplanar geometry to one Cs(1), one Sb(4), and one Sb(8) atom. In the eighth S site, S(8) is bonded in a water-like geometry to one Sb(2) and one Sb(3) atom. In the ninth S site, S(9) is bonded in a distorted water-like geometry to one Cs(2), one Sb(1), and one Sb(7) atom. In the tenth S site, S(10) is bonded in a 3-coordinate geometry to one Cs(2), one Sb(2), and one Sb(4) atom. In the eleventh S site, S(11) is bonded in a distorted trigonal non-coplanar geometry to one Cs(2), one Sb(5), and one Sb(6) atom. In the twelfth S site, S(12) is bonded in a distorted trigonal planar geometry to one Cs(1), one Sb(5), and one Sb(8) atom. In the thirteenth S site, S(13) is bonded in a 3-coordinate geometry to one Cs(2), one Sb(6), and one Sb(7) atom. is represented by the CIF card [CIF]
data_Cs2Sb8S13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.466
_cell_length_b   11.594
_cell_length_c   15.536
_cell_angle_alpha   85.572
_cell_angle_beta   77.946
_cell_angle_gamma   72.679
_symmetry_Int_Tables_number   1
_cell_volume   1423.482
_cell_formula_units_Z   2
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  0.712  0.429  0.767  1.0
  Cs  Cs1  1  0.288  0.571  0.233  1.0
  Cs  Cs2  1  0.635  0.130  0.057  1.0
  Cs  Cs3  1  0.365  0.870  0.943  1.0
  Sb  Sb4  1  0.833  0.624  0.067  1.0
  Sb  Sb5  1  0.167  0.376  0.933  1.0
  Sb  Sb6  1  0.748  0.005  0.592  1.0
  Sb  Sb7  1  0.252  0.995  0.408  1.0
  Sb  Sb8  1  0.966  0.728  0.452  1.0
  Sb  Sb9  1  0.034  0.272  0.548  1.0
  Sb  Sb10  1  0.515  0.777  0.579  1.0
  Sb  Sb11  1  0.485  0.223  0.421  1.0
  Sb  Sb12  1  0.361  0.203  0.728  1.0
  Sb  Sb13  1  0.639  0.797  0.272  1.0
  Sb  Sb14  1  0.103  0.974  0.730  1.0
  Sb  Sb15  1  0.897  0.026  0.270  1.0
  Sb  Sb16  1  0.015  0.679  0.817  1.0
  Sb  Sb17  1  0.985  0.321  0.183  1.0
  Sb  Sb18  1  0.297  0.530  0.585  1.0
  Sb  Sb19  1  0.703  0.470  0.415  1.0
  S  S20  1  0.829  0.106  0.705  1.0
  S  S21  1  0.171  0.894  0.295  1.0
  S  S22  1  0.792  0.617  0.556  1.0
  S  S23  1  0.208  0.383  0.444  1.0
  S  S24  1  0.445  0.635  0.436  1.0
  S  S25  1  0.555  0.365  0.564  1.0
  S  S26  1  0.728  0.889  0.421  1.0
  S  S27  1  0.272  0.111  0.579  1.0
  S  S28  1  0.236  0.359  0.083  1.0
  S  S29  1  0.764  0.641  0.917  1.0
  S  S30  1  0.446  0.248  0.870  1.0
  S  S31  1  0.554  0.752  0.130  1.0
  S  S32  1  0.387  0.648  0.690  1.0
  S  S33  1  0.613  0.352  0.310  1.0
  S  S34  1  0.024  0.847  0.564  1.0
  S  S35  1  0.976  0.153  0.436  1.0
  S  S36  1  0.783  0.422  0.087  1.0
  S  S37  1  0.217  0.578  0.913  1.0
  S  S38  1  0.595  0.879  0.696  1.0
  S  S39  1  0.405  0.121  0.304  1.0
  S  S40  1  0.142  0.120  0.825  1.0
  S  S41  1  0.858  0.880  0.175  1.0
  S  S42  1  0.160  0.401  0.719  1.0
  S  S43  1  0.840  0.599  0.281  1.0
  S  S44  1  0.981  0.880  0.873  1.0
  S  S45  1  0.019  0.120  0.127  1.0
[/CIF]
.
The crystal structure described by Cs2Sb8S13 crystallizes in the triclinic P-1 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), one S(12), one S(2), one S(3), one S(5), one S(6), and one S(7) atom. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to one S(10), one S(11), one S(13), one S(5), one S(6), and one S(9) atom. There are eight inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted T-shaped geometry to one S(5), one S(6), and one S(9) atom. In the second Sb site, Sb(2) is bonded in a 4-coordinate geometry to one S(1), one S(10), one S(4), and one S(8) atom. In the third Sb site, Sb(3) is bonded in a 3-coordinate geometry to one S(2), one S(4), and one S(8) atom. In the fourth Sb site, Sb(4) is bonded in a 3-coordinate geometry to one S(10), one S(2), one S(3), one S(4), and one S(7) atom. In the fifth Sb site, Sb(5) is bonded in a rectangular see-saw-like geometry to one S(11), one S(12), one S(4), and one S(6) atom. In the sixth Sb site, Sb(6) is bonded in a distorted rectangular see-saw-like geometry to one S(1), one S(11), one S(13), and one S(4) atom. In the seventh Sb site, Sb(7) is bonded in a distorted T-shaped geometry to one S(13), one S(5), and one S(9) atom. In the eighth Sb site, Sb(8) is bonded in a distorted rectangular see-saw-like geometry to one S(12), one S(7), and two equivalent S(3) atoms. There are thirteen inequivalent S sites. In the first S site, S(1) is bonded in a distorted trigonal planar geometry to one Cs(1), one Sb(2), and one Sb(6) atom. In the second S site, S(2) is bonded in a distorted water-like geometry to one Cs(1), one Sb(3), and one Sb(4) atom. In the third S site, S(3) is bonded in a 4-coordinate geometry to one Cs(1), one Sb(4), and two equivalent Sb(8) atoms. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to one Sb(2), one Sb(3), one Sb(4), one Sb(5), and one Sb(6) atom. In the fifth S site, S(5) is bonded to one Cs(1), one Cs(2), one Sb(1), and one Sb(7) atom to form a mixture of distorted corner and edge-sharing SCs2Sb2 tetrahedra. In the sixth S site, S(6) is bonded to one Cs(1), one Cs(2), one Sb(1), and one Sb(5) atom to form a mixture of distorted corner and edge-sharing SCs2Sb2 tetrahedra. In the seventh S site, S(7) is bonded in a distorted trigonal non-coplanar geometry to one Cs(1), one Sb(4), and one Sb(8) atom. In the eighth S site, S(8) is bonded in a water-like geometry to one Sb(2) and one Sb(3) atom. In the ninth S site, S(9) is bonded in a distorted water-like geometry to one Cs(2), one Sb(1), and one Sb(7) atom. In the tenth S site, S(10) is bonded in a 3-coordinate geometry to one Cs(2), one Sb(2), and one Sb(4) atom. In the eleventh S site, S(11) is bonded in a distorted trigonal non-coplanar geometry to one Cs(2), one Sb(5), and one Sb(6) atom. In the twelfth S site, S(12) is bonded in a distorted trigonal planar geometry to one Cs(1), one Sb(5), and one Sb(8) atom. In the thirteenth S site, S(13) is bonded in a 3-coordinate geometry to one Cs(2), one Sb(6), and one Sb(7) atom. is represented by the CIF card [CIF]
data_Cs2Sb8S13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.466
_cell_length_b   11.594
_cell_length_c   15.536
_cell_angle_alpha   85.572
_cell_angle_beta   77.946
_cell_angle_gamma   72.679
_symmetry_Int_Tables_number   1
_cell_volume   1423.482
_cell_formula_units_Z   2
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  0.712  0.429  0.767  1.0
  Cs  Cs1  1  0.288  0.571  0.233  1.0
  Cs  Cs2  1  0.635  0.130  0.057  1.0
  Cs  Cs3  1  0.365  0.870  0.943  1.0
  Sb  Sb4  1  0.833  0.624  0.067  1.0
  Sb  Sb5  1  0.167  0.376  0.933  1.0
  Sb  Sb6  1  0.748  0.005  0.592  1.0
  Sb  Sb7  1  0.252  0.995  0.408  1.0
  Sb  Sb8  1  0.966  0.728  0.452  1.0
  Sb  Sb9  1  0.034  0.272  0.548  1.0
  Sb  Sb10  1  0.515  0.777  0.579  1.0
  Sb  Sb11  1  0.485  0.223  0.421  1.0
  Sb  Sb12  1  0.361  0.203  0.728  1.0
  Sb  Sb13  1  0.639  0.797  0.272  1.0
  Sb  Sb14  1  0.103  0.974  0.730  1.0
  Sb  Sb15  1  0.897  0.026  0.270  1.0
  Sb  Sb16  1  0.015  0.679  0.817  1.0
  Sb  Sb17  1  0.985  0.321  0.183  1.0
  Sb  Sb18  1  0.297  0.530  0.585  1.0
  Sb  Sb19  1  0.703  0.470  0.415  1.0
  S  S20  1  0.829  0.106  0.705  1.0
  S  S21  1  0.171  0.894  0.295  1.0
  S  S22  1  0.792  0.617  0.556  1.0
  S  S23  1  0.208  0.383  0.444  1.0
  S  S24  1  0.445  0.635  0.436  1.0
  S  S25  1  0.555  0.365  0.564  1.0
  S  S26  1  0.728  0.889  0.421  1.0
  S  S27  1  0.272  0.111  0.579  1.0
  S  S28  1  0.236  0.359  0.083  1.0
  S  S29  1  0.764  0.641  0.917  1.0
  S  S30  1  0.446  0.248  0.870  1.0
  S  S31  1  0.554  0.752  0.130  1.0
  S  S32  1  0.387  0.648  0.690  1.0
  S  S33  1  0.613  0.352  0.310  1.0
  S  S34  1  0.024  0.847  0.564  1.0
  S  S35  1  0.976  0.153  0.436  1.0
  S  S36  1  0.783  0.422  0.087  1.0
  S  S37  1  0.217  0.578  0.913  1.0
  S  S38  1  0.595  0.879  0.696  1.0
  S  S39  1  0.405  0.121  0.304  1.0
  S  S40  1  0.142  0.120  0.825  1.0
  S  S41  1  0.858  0.880  0.175  1.0
  S  S42  1  0.160  0.401  0.719  1.0
  S  S43  1  0.840  0.599  0.281  1.0
  S  S44  1  0.981  0.880  0.873  1.0
  S  S45  1  0.019  0.120  0.127  1.0
[/CIF]
.