The crystal structure described by Cs4(BS)9 crystallizes in the triclinic P-1 space group. There are four inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 10-coordinate geometry to one B(8), one B(9), one S(3), one S(6), one S(8), one S(9), two equivalent S(2), and two equivalent S(7) atoms. In the second Cs site, Cs(2) is bonded in a 7-coordinate geometry to one S(1), one S(3), one S(4), one S(5), one S(9), and two equivalent S(8) atoms. In the third Cs site, Cs(3) is bonded in a 7-coordinate geometry to one S(4), one S(6), one S(8), two equivalent S(7), and two equivalent S(9) atoms. In the fourth Cs site, Cs(4) is bonded in a 8-coordinate geometry to one S(1), one S(2), one S(4), one S(7), one S(8), one S(9), and two equivalent S(5) atoms. There are nine inequivalent B sites. In the first B site, B(1) is bonded in a distorted single-bond geometry to one S(1) atom. In the second B site, B(2) is bonded in a distorted single-bond geometry to one S(2) atom. In the third B site, B(3) is bonded in a distorted single-bond geometry to one S(3) atom. In the fourth B site, B(4) is bonded in a distorted single-bond geometry to one S(4) atom. In the fifth B site, B(5) is bonded in a distorted single-bond geometry to one S(5) atom. In the sixth B site, B(6) is bonded in a distorted single-bond geometry to one S(6) atom. In the seventh B site, B(7) is bonded in a trigonal planar geometry to one S(1), one S(2), and one S(7) atom. In the eighth B site, B(8) is bonded in a trigonal planar geometry to one Cs(1), one S(3), one S(4), and one S(8) atom. In the ninth B site, B(9) is bonded in a trigonal planar geometry to one Cs(1), one S(5), one S(6), and one S(9) atom. There are nine inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to one Cs(2), one Cs(4), one B(1), and one B(7) atom. In the second S site, S(2) is bonded in a distorted water-like geometry to one Cs(4), two equivalent Cs(1), one B(2), and one B(7) atom. In the third S site, S(3) is bonded in a distorted water-like geometry to one Cs(1), one Cs(2), one B(3), and one B(8) atom. In the fourth S site, S(4) is bonded in a distorted water-like geometry to one Cs(2), one Cs(3), one Cs(4), one B(4), and one B(8) atom. In the fifth S site, S(5) is bonded in a distorted water-like geometry to one Cs(2), two equivalent Cs(4), one B(5), and one B(9) atom. In the sixth S site, S(6) is bonded in a distorted water-like geometry to one Cs(1), one Cs(3), one B(6), and one B(9) atom. In the seventh S site, S(7) is bonded in a distorted single-bond geometry to one Cs(4), two equivalent Cs(1), two equivalent Cs(3), and one B(7) atom. In the eighth S site, S(8) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(3), one Cs(4), two equivalent Cs(2), and one B(8) atom. In the ninth S site, S(9) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), one Cs(4), two equivalent Cs(3), and one B(9) atom. is represented by the CIF card [CIF]
data_Cs4(BS)9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.460
_cell_length_b   10.442
_cell_length_c   10.958
_cell_angle_alpha   92.142
_cell_angle_beta   103.527
_cell_angle_gamma   109.728
_symmetry_Int_Tables_number   1
_cell_volume   1086.510
_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  0.650  0.010  0.379  1.0
  Cs  Cs1  1  0.350  0.990  0.621  1.0
  Cs  Cs2  1  0.615  0.371  0.131  1.0
  Cs  Cs3  1  0.385  0.629  0.869  1.0
  Cs  Cs4  1  0.754  0.621  0.471  1.0
  Cs  Cs5  1  0.246  0.379  0.529  1.0
  Cs  Cs6  1  0.817  0.381  0.759  1.0
  Cs  Cs7  1  0.183  0.619  0.241  1.0
  B  B8  1  0.128  0.141  0.085  1.0
  B  B9  1  0.872  0.859  0.915  1.0
  B  B10  1  0.122  0.976  0.123  1.0
  B  B11  1  0.878  0.024  0.877  1.0
  B  B12  1  0.162  0.032  0.980  1.0
  B  B13  1  0.838  0.968  0.020  1.0
  B  B14  1  0.062  0.133  0.918  1.0
  B  B15  1  0.938  0.867  0.082  1.0
  B  B16  1  0.954  0.139  0.023  1.0
  B  B17  1  0.046  0.861  0.977  1.0
  B  B18  1  0.991  0.041  0.146  1.0
  B  B19  1  0.009  0.959  0.854  1.0
  B  B20  1  0.353  0.179  0.301  1.0
  B  B21  1  0.647  0.821  0.699  1.0
  B  B22  1  0.324  0.231  0.857  1.0
  B  B23  1  0.676  0.769  0.143  1.0
  B  B24  1  0.929  0.257  0.251  1.0
  B  B25  1  0.071  0.743  0.749  1.0
  S  S26  1  0.277  0.282  0.194  1.0
  S  S27  1  0.723  0.718  0.806  1.0
  S  S28  1  0.269  0.989  0.263  1.0
  S  S29  1  0.731  0.011  0.737  1.0
  S  S30  1  0.335  0.085  0.943  1.0
  S  S31  1  0.665  0.915  0.057  1.0
  S  S32  1  0.159  0.269  0.834  1.0
  S  S33  1  0.841  0.731  0.166  1.0
  S  S34  1  0.912  0.286  0.082  1.0
  S  S35  1  0.088  0.714  0.918  1.0
  S  S36  1  0.976  0.107  0.299  1.0
  S  S37  1  0.024  0.893  0.701  1.0
  S  S38  1  0.500  0.257  0.432  1.0
  S  S39  1  0.500  0.743  0.568  1.0
  S  S40  1  0.466  0.330  0.799  1.0
  S  S41  1  0.534  0.670  0.201  1.0
  S  S42  1  0.907  0.369  0.362  1.0
  S  S43  1  0.093  0.631  0.638  1.0
[/CIF]
.
The crystal structure described by Cs4(BS)9 crystallizes in the triclinic P-1 space group. There are four inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 10-coordinate geometry to one B(8), one B(9), one S(3), one S(6), one S(8), one S(9), two equivalent S(2), and two equivalent S(7) atoms. In the second Cs site, Cs(2) is bonded in a 7-coordinate geometry to one S(1), one S(3), one S(4), one S(5), one S(9), and two equivalent S(8) atoms. In the third Cs site, Cs(3) is bonded in a 7-coordinate geometry to one S(4), one S(6), one S(8), two equivalent S(7), and two equivalent S(9) atoms. In the fourth Cs site, Cs(4) is bonded in a 8-coordinate geometry to one S(1), one S(2), one S(4), one S(7), one S(8), one S(9), and two equivalent S(5) atoms. There are nine inequivalent B sites. In the first B site, B(1) is bonded in a distorted single-bond geometry to one S(1) atom. In the second B site, B(2) is bonded in a distorted single-bond geometry to one S(2) atom. In the third B site, B(3) is bonded in a distorted single-bond geometry to one S(3) atom. In the fourth B site, B(4) is bonded in a distorted single-bond geometry to one S(4) atom. In the fifth B site, B(5) is bonded in a distorted single-bond geometry to one S(5) atom. In the sixth B site, B(6) is bonded in a distorted single-bond geometry to one S(6) atom. In the seventh B site, B(7) is bonded in a trigonal planar geometry to one S(1), one S(2), and one S(7) atom. In the eighth B site, B(8) is bonded in a trigonal planar geometry to one Cs(1), one S(3), one S(4), and one S(8) atom. In the ninth B site, B(9) is bonded in a trigonal planar geometry to one Cs(1), one S(5), one S(6), and one S(9) atom. There are nine inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to one Cs(2), one Cs(4), one B(1), and one B(7) atom. In the second S site, S(2) is bonded in a distorted water-like geometry to one Cs(4), two equivalent Cs(1), one B(2), and one B(7) atom. In the third S site, S(3) is bonded in a distorted water-like geometry to one Cs(1), one Cs(2), one B(3), and one B(8) atom. In the fourth S site, S(4) is bonded in a distorted water-like geometry to one Cs(2), one Cs(3), one Cs(4), one B(4), and one B(8) atom. In the fifth S site, S(5) is bonded in a distorted water-like geometry to one Cs(2), two equivalent Cs(4), one B(5), and one B(9) atom. In the sixth S site, S(6) is bonded in a distorted water-like geometry to one Cs(1), one Cs(3), one B(6), and one B(9) atom. In the seventh S site, S(7) is bonded in a distorted single-bond geometry to one Cs(4), two equivalent Cs(1), two equivalent Cs(3), and one B(7) atom. In the eighth S site, S(8) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(3), one Cs(4), two equivalent Cs(2), and one B(8) atom. In the ninth S site, S(9) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), one Cs(4), two equivalent Cs(3), and one B(9) atom. is represented by the CIF card [CIF]
data_Cs4(BS)9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.460
_cell_length_b   10.442
_cell_length_c   10.958
_cell_angle_alpha   92.142
_cell_angle_beta   103.527
_cell_angle_gamma   109.728
_symmetry_Int_Tables_number   1
_cell_volume   1086.510
_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  0.650  0.010  0.379  1.0
  Cs  Cs1  1  0.350  0.990  0.621  1.0
  Cs  Cs2  1  0.615  0.371  0.131  1.0
  Cs  Cs3  1  0.385  0.629  0.869  1.0
  Cs  Cs4  1  0.754  0.621  0.471  1.0
  Cs  Cs5  1  0.246  0.379  0.529  1.0
  Cs  Cs6  1  0.817  0.381  0.759  1.0
  Cs  Cs7  1  0.183  0.619  0.241  1.0
  B  B8  1  0.128  0.141  0.085  1.0
  B  B9  1  0.872  0.859  0.915  1.0
  B  B10  1  0.122  0.976  0.123  1.0
  B  B11  1  0.878  0.024  0.877  1.0
  B  B12  1  0.162  0.032  0.980  1.0
  B  B13  1  0.838  0.968  0.020  1.0
  B  B14  1  0.062  0.133  0.918  1.0
  B  B15  1  0.938  0.867  0.082  1.0
  B  B16  1  0.954  0.139  0.023  1.0
  B  B17  1  0.046  0.861  0.977  1.0
  B  B18  1  0.991  0.041  0.146  1.0
  B  B19  1  0.009  0.959  0.854  1.0
  B  B20  1  0.353  0.179  0.301  1.0
  B  B21  1  0.647  0.821  0.699  1.0
  B  B22  1  0.324  0.231  0.857  1.0
  B  B23  1  0.676  0.769  0.143  1.0
  B  B24  1  0.929  0.257  0.251  1.0
  B  B25  1  0.071  0.743  0.749  1.0
  S  S26  1  0.277  0.282  0.194  1.0
  S  S27  1  0.723  0.718  0.806  1.0
  S  S28  1  0.269  0.989  0.263  1.0
  S  S29  1  0.731  0.011  0.737  1.0
  S  S30  1  0.335  0.085  0.943  1.0
  S  S31  1  0.665  0.915  0.057  1.0
  S  S32  1  0.159  0.269  0.834  1.0
  S  S33  1  0.841  0.731  0.166  1.0
  S  S34  1  0.912  0.286  0.082  1.0
  S  S35  1  0.088  0.714  0.918  1.0
  S  S36  1  0.976  0.107  0.299  1.0
  S  S37  1  0.024  0.893  0.701  1.0
  S  S38  1  0.500  0.257  0.432  1.0
  S  S39  1  0.500  0.743  0.568  1.0
  S  S40  1  0.466  0.330  0.799  1.0
  S  S41  1  0.534  0.670  0.201  1.0
  S  S42  1  0.907  0.369  0.362  1.0
  S  S43  1  0.093  0.631  0.638  1.0
[/CIF]
.