The crystal structure described by CsLi2BS3 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 11-coordinate geometry to two equivalent B(1), one S(2), and eight equivalent S(1) atoms. Li(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form a mixture of distorted corner and edge-sharing LiS4 tetrahedra. B(1) is bonded in a trigonal planar geometry to two equivalent Cs(1), one S(2), and two equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to four equivalent Cs(1), two equivalent Li(1), and one B(1) atom. In the second S site, S(2) is bonded in a 6-coordinate geometry to one Cs(1), four equivalent Li(1), and one B(1) atom. is represented by the CIF card [CIF]
data_CsLi2BS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.084
_cell_length_b   8.127
_cell_length_c   10.114
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   664.475
_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  0.750  0.940  0.506  1.0
  Cs  Cs1  1  0.750  0.560  0.006  1.0
  Cs  Cs2  1  0.250  0.060  0.494  1.0
  Cs  Cs3  1  0.250  0.440  0.994  1.0
  Li  Li4  1  0.039  0.964  0.868  1.0
  Li  Li5  1  0.961  0.464  0.632  1.0
  Li  Li6  1  0.039  0.536  0.368  1.0
  Li  Li7  1  0.461  0.536  0.368  1.0
  Li  Li8  1  0.539  0.036  0.132  1.0
  Li  Li9  1  0.539  0.464  0.632  1.0
  Li  Li10  1  0.461  0.964  0.868  1.0
  Li  Li11  1  0.961  0.036  0.132  1.0
  B  B12  1  0.250  0.655  0.667  1.0
  B  B13  1  0.750  0.345  0.333  1.0
  B  B14  1  0.750  0.155  0.833  1.0
  B  B15  1  0.250  0.845  0.167  1.0
  S  S16  1  0.550  0.274  0.272  1.0
  S  S17  1  0.550  0.226  0.772  1.0
  S  S18  1  0.250  0.490  0.541  1.0
  S  S19  1  0.750  0.990  0.959  1.0
  S  S20  1  0.750  0.510  0.459  1.0
  S  S21  1  0.950  0.226  0.772  1.0
  S  S22  1  0.450  0.774  0.228  1.0
  S  S23  1  0.950  0.274  0.272  1.0
  S  S24  1  0.250  0.010  0.041  1.0
  S  S25  1  0.050  0.774  0.228  1.0
  S  S26  1  0.450  0.726  0.728  1.0
  S  S27  1  0.050  0.726  0.728  1.0
[/CIF]
.
The crystal structure described by CsLi2BS3 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 11-coordinate geometry to two equivalent B(1), one S(2), and eight equivalent S(1) atoms. Li(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form a mixture of distorted corner and edge-sharing LiS4 tetrahedra. B(1) is bonded in a trigonal planar geometry to two equivalent Cs(1), one S(2), and two equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to four equivalent Cs(1), two equivalent Li(1), and one B(1) atom. In the second S site, S(2) is bonded in a 6-coordinate geometry to one Cs(1), four equivalent Li(1), and one B(1) atom. is represented by the CIF card [CIF]
data_CsLi2BS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.084
_cell_length_b   8.127
_cell_length_c   10.114
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   664.475
_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  0.750  0.940  0.506  1.0
  Cs  Cs1  1  0.750  0.560  0.006  1.0
  Cs  Cs2  1  0.250  0.060  0.494  1.0
  Cs  Cs3  1  0.250  0.440  0.994  1.0
  Li  Li4  1  0.039  0.964  0.868  1.0
  Li  Li5  1  0.961  0.464  0.632  1.0
  Li  Li6  1  0.039  0.536  0.368  1.0
  Li  Li7  1  0.461  0.536  0.368  1.0
  Li  Li8  1  0.539  0.036  0.132  1.0
  Li  Li9  1  0.539  0.464  0.632  1.0
  Li  Li10  1  0.461  0.964  0.868  1.0
  Li  Li11  1  0.961  0.036  0.132  1.0
  B  B12  1  0.250  0.655  0.667  1.0
  B  B13  1  0.750  0.345  0.333  1.0
  B  B14  1  0.750  0.155  0.833  1.0
  B  B15  1  0.250  0.845  0.167  1.0
  S  S16  1  0.550  0.274  0.272  1.0
  S  S17  1  0.550  0.226  0.772  1.0
  S  S18  1  0.250  0.490  0.541  1.0
  S  S19  1  0.750  0.990  0.959  1.0
  S  S20  1  0.750  0.510  0.459  1.0
  S  S21  1  0.950  0.226  0.772  1.0
  S  S22  1  0.450  0.774  0.228  1.0
  S  S23  1  0.950  0.274  0.272  1.0
  S  S24  1  0.250  0.010  0.041  1.0
  S  S25  1  0.050  0.774  0.228  1.0
  S  S26  1  0.450  0.726  0.728  1.0
  S  S27  1  0.050  0.726  0.728  1.0
[/CIF]
.