The compound described by CsSnS3 crystallizes in the triclinic P-1 space group. Cs(1) is bonded in a 7-coordinate geometry to two equivalent S(2), three equivalent S(1), and three equivalent S(3) atoms. Sn(1) is bonded to one S(1), two equivalent S(2), and two equivalent S(3) atoms to form edge-sharing SnS5 trigonal bipyramids. 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 Sn(1), and one S(1) atom. In the second S site, S(2) is bonded in a 4-coordinate geometry to two equivalent Cs(1) and two equivalent Sn(1) atoms. In the third S site, S(3) is bonded in a 5-coordinate geometry to three equivalent Cs(1) and two equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsSnS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.807
_cell_length_b   7.512
_cell_length_c   7.708
_cell_angle_alpha   99.137
_cell_angle_beta   114.406
_cell_angle_gamma   107.953
_symmetry_Int_Tables_number   1
_cell_volume   322.271
_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  0.770  0.815  0.141  1.0
  Cs  Cs1  1  0.230  0.185  0.859  1.0
  Sn  Sn2  1  0.223  0.513  0.426  1.0
  Sn  Sn3  1  0.777  0.487  0.574  1.0
  S  S4  1  0.170  0.600  0.114  1.0
  S  S5  1  0.782  0.302  0.287  1.0
  S  S6  1  0.340  0.240  0.437  1.0
  S  S7  1  0.660  0.760  0.563  1.0
  S  S8  1  0.830  0.400  0.886  1.0
  S  S9  1  0.218  0.698  0.713  1.0
[/CIF]
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The compound described by CsSnS3 crystallizes in the triclinic P-1 space group. Cs(1) is bonded in a 7-coordinate geometry to two equivalent S(2), three equivalent S(1), and three equivalent S(3) atoms. Sn(1) is bonded to one S(1), two equivalent S(2), and two equivalent S(3) atoms to form edge-sharing SnS5 trigonal bipyramids. 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 Sn(1), and one S(1) atom. In the second S site, S(2) is bonded in a 4-coordinate geometry to two equivalent Cs(1) and two equivalent Sn(1) atoms. In the third S site, S(3) is bonded in a 5-coordinate geometry to three equivalent Cs(1) and two equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsSnS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.807
_cell_length_b   7.512
_cell_length_c   7.708
_cell_angle_alpha   99.137
_cell_angle_beta   114.406
_cell_angle_gamma   107.953
_symmetry_Int_Tables_number   1
_cell_volume   322.271
_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  0.770  0.815  0.141  1.0
  Cs  Cs1  1  0.230  0.185  0.859  1.0
  Sn  Sn2  1  0.223  0.513  0.426  1.0
  Sn  Sn3  1  0.777  0.487  0.574  1.0
  S  S4  1  0.170  0.600  0.114  1.0
  S  S5  1  0.782  0.302  0.287  1.0
  S  S6  1  0.340  0.240  0.437  1.0
  S  S7  1  0.660  0.760  0.563  1.0
  S  S8  1  0.830  0.400  0.886  1.0
  S  S9  1  0.218  0.698  0.713  1.0
[/CIF]
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