The crystal structure described by Li2B2S5 crystallizes in the orthorhombic Cmcm space group. Li(1) is bonded in a distorted see-saw-like geometry to four equivalent S(1) atoms. B(1) is bonded in a trigonal planar geometry to 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 5-coordinate geometry to four equivalent Li(1) and one B(1) atom. In the second S site, S(2) is bonded in a distorted single-bond geometry to one B(1) atom. In the third S site, S(3) is bonded in a water-like geometry to two equivalent B(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2B2S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.458
_cell_length_b   6.899
_cell_length_c   8.607
_cell_angle_alpha   90.000
_cell_angle_beta   112.036
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   355.485
_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
  Li  Li0  1  0.768  0.000  0.536  1.0
  Li  Li1  1  0.232  0.500  0.464  1.0
  Li  Li2  1  0.232  0.000  0.464  1.0
  Li  Li3  1  0.768  0.500  0.536  1.0
  B  B4  1  0.559  0.750  0.826  1.0
  B  B5  1  0.733  0.750  0.174  1.0
  B  B6  1  0.441  0.250  0.174  1.0
  B  B7  1  0.267  0.250  0.826  1.0
  S  S8  1  0.923  0.750  0.390  1.0
  S  S9  1  0.533  0.750  0.610  1.0
  S  S10  1  0.467  0.250  0.390  1.0
  S  S11  1  0.077  0.250  0.610  1.0
  S  S12  1  0.437  0.750  0.130  1.0
  S  S13  1  0.306  0.750  0.870  1.0
  S  S14  1  0.563  0.250  0.870  1.0
  S  S15  1  0.694  0.250  0.130  1.0
  S  S16  1  0.825  0.750  0.000  1.0
  S  S17  1  0.175  0.250  0.000  1.0
[/CIF]
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The crystal structure described by Li2B2S5 crystallizes in the orthorhombic Cmcm space group. Li(1) is bonded in a distorted see-saw-like geometry to four equivalent S(1) atoms. B(1) is bonded in a trigonal planar geometry to 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 5-coordinate geometry to four equivalent Li(1) and one B(1) atom. In the second S site, S(2) is bonded in a distorted single-bond geometry to one B(1) atom. In the third S site, S(3) is bonded in a water-like geometry to two equivalent B(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2B2S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.458
_cell_length_b   6.899
_cell_length_c   8.607
_cell_angle_alpha   90.000
_cell_angle_beta   112.036
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   355.485
_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
  Li  Li0  1  0.768  0.000  0.536  1.0
  Li  Li1  1  0.232  0.500  0.464  1.0
  Li  Li2  1  0.232  0.000  0.464  1.0
  Li  Li3  1  0.768  0.500  0.536  1.0
  B  B4  1  0.559  0.750  0.826  1.0
  B  B5  1  0.733  0.750  0.174  1.0
  B  B6  1  0.441  0.250  0.174  1.0
  B  B7  1  0.267  0.250  0.826  1.0
  S  S8  1  0.923  0.750  0.390  1.0
  S  S9  1  0.533  0.750  0.610  1.0
  S  S10  1  0.467  0.250  0.390  1.0
  S  S11  1  0.077  0.250  0.610  1.0
  S  S12  1  0.437  0.750  0.130  1.0
  S  S13  1  0.306  0.750  0.870  1.0
  S  S14  1  0.563  0.250  0.870  1.0
  S  S15  1  0.694  0.250  0.130  1.0
  S  S16  1  0.825  0.750  0.000  1.0
  S  S17  1  0.175  0.250  0.000  1.0
[/CIF]
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