The material structure described by Cs3BS3 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 6-coordinate geometry to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to one S(1), one S(3), and four equivalent S(2) atoms. In the third Cs site, Cs(3) is bonded in a 6-coordinate geometry to one B(1), two equivalent S(3), and three equivalent S(1) atoms. B(1) is bonded in a trigonal planar geometry to one Cs(3), one S(1), one S(2), and one S(3) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), three equivalent Cs(3), and one B(1) atom. In the second S site, S(2) is bonded in a distorted single-bond geometry to two equivalent Cs(1), four equivalent Cs(2), and one B(1) atom. In the third S site, S(3) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), two equivalent Cs(3), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs3BS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.682
_cell_length_b   10.651
_cell_length_c   13.763
_cell_angle_alpha   77.971
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   958.046
_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  0.651  0.253  0.509  1.0
  Cs  Cs1  1  0.151  0.747  0.991  1.0
  Cs  Cs2  1  0.349  0.747  0.491  1.0
  Cs  Cs3  1  0.849  0.253  0.009  1.0
  Cs  Cs4  1  0.283  0.037  0.142  1.0
  Cs  Cs5  1  0.783  0.963  0.358  1.0
  Cs  Cs6  1  0.717  0.963  0.858  1.0
  Cs  Cs7  1  0.217  0.037  0.642  1.0
  Cs  Cs8  1  0.450  0.401  0.200  1.0
  Cs  Cs9  1  0.950  0.599  0.300  1.0
  Cs  Cs10  1  0.550  0.599  0.800  1.0
  Cs  Cs11  1  0.050  0.401  0.700  1.0
  B  B12  1  0.128  0.234  0.373  1.0
  B  B13  1  0.628  0.766  0.127  1.0
  B  B14  1  0.872  0.766  0.627  1.0
  B  B15  1  0.372  0.234  0.873  1.0
  S  S16  1  0.947  0.276  0.270  1.0
  S  S17  1  0.447  0.724  0.230  1.0
  S  S18  1  0.053  0.724  0.730  1.0
  S  S19  1  0.553  0.276  0.770  1.0
  S  S20  1  0.287  0.091  0.383  1.0
  S  S21  1  0.787  0.909  0.117  1.0
  S  S22  1  0.713  0.909  0.617  1.0
  S  S23  1  0.213  0.091  0.883  1.0
  S  S24  1  0.344  0.338  0.962  1.0
  S  S25  1  0.844  0.662  0.538  1.0
  S  S26  1  0.656  0.662  0.038  1.0
  S  S27  1  0.156  0.338  0.462  1.0
[/CIF]
.
The material structure described by Cs3BS3 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 6-coordinate geometry to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to one S(1), one S(3), and four equivalent S(2) atoms. In the third Cs site, Cs(3) is bonded in a 6-coordinate geometry to one B(1), two equivalent S(3), and three equivalent S(1) atoms. B(1) is bonded in a trigonal planar geometry to one Cs(3), one S(1), one S(2), and one S(3) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), three equivalent Cs(3), and one B(1) atom. In the second S site, S(2) is bonded in a distorted single-bond geometry to two equivalent Cs(1), four equivalent Cs(2), and one B(1) atom. In the third S site, S(3) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), two equivalent Cs(3), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs3BS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.682
_cell_length_b   10.651
_cell_length_c   13.763
_cell_angle_alpha   77.971
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   958.046
_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  0.651  0.253  0.509  1.0
  Cs  Cs1  1  0.151  0.747  0.991  1.0
  Cs  Cs2  1  0.349  0.747  0.491  1.0
  Cs  Cs3  1  0.849  0.253  0.009  1.0
  Cs  Cs4  1  0.283  0.037  0.142  1.0
  Cs  Cs5  1  0.783  0.963  0.358  1.0
  Cs  Cs6  1  0.717  0.963  0.858  1.0
  Cs  Cs7  1  0.217  0.037  0.642  1.0
  Cs  Cs8  1  0.450  0.401  0.200  1.0
  Cs  Cs9  1  0.950  0.599  0.300  1.0
  Cs  Cs10  1  0.550  0.599  0.800  1.0
  Cs  Cs11  1  0.050  0.401  0.700  1.0
  B  B12  1  0.128  0.234  0.373  1.0
  B  B13  1  0.628  0.766  0.127  1.0
  B  B14  1  0.872  0.766  0.627  1.0
  B  B15  1  0.372  0.234  0.873  1.0
  S  S16  1  0.947  0.276  0.270  1.0
  S  S17  1  0.447  0.724  0.230  1.0
  S  S18  1  0.053  0.724  0.730  1.0
  S  S19  1  0.553  0.276  0.770  1.0
  S  S20  1  0.287  0.091  0.383  1.0
  S  S21  1  0.787  0.909  0.117  1.0
  S  S22  1  0.713  0.909  0.617  1.0
  S  S23  1  0.213  0.091  0.883  1.0
  S  S24  1  0.344  0.338  0.962  1.0
  S  S25  1  0.844  0.662  0.538  1.0
  S  S26  1  0.656  0.662  0.038  1.0
  S  S27  1  0.156  0.338  0.462  1.0
[/CIF]
.