The material described by Li2Ti2S5 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to one S(3), two equivalent S(1), and two equivalent S(2) atoms to form distorted LiS5 trigonal bipyramids that share corners with three equivalent Li(1)S5 trigonal bipyramids, corners with six equivalent Ti(1)S5 trigonal bipyramids,  an edgeedge with one Li(1)S5 trigonal bipyramid, and edges with two equivalent Ti(1)S5 trigonal bipyramids. Ti(1) is bonded to one S(3), two equivalent S(1), and two equivalent S(2) atoms to form distorted TiS5 trigonal bipyramids that share  a cornercorner with one Ti(1)S5 trigonal bipyramid, corners with six equivalent Li(1)S5 trigonal bipyramids, edges with two equivalent Li(1)S5 trigonal bipyramids, and edges with two equivalent Ti(1)S5 trigonal bipyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent Ti(1) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent Ti(1) atoms. In the third S site, S(3) is bonded in a trigonal pyramidal geometry to two equivalent Li(1) and two equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Ti2S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.125
_cell_length_b   6.125
_cell_length_c   11.918
_cell_angle_alpha   68.751
_cell_angle_beta   68.751
_cell_angle_gamma   61.095
_symmetry_Int_Tables_number   1
_cell_volume   355.105
_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  0.825  0.556  0.176  1.0
  Li  Li1  1  0.556  0.825  0.676  1.0
  Li  Li2  1  0.444  0.175  0.324  1.0
  Li  Li3  1  0.175  0.444  0.824  1.0
  Ti  Ti4  1  0.249  0.927  0.058  1.0
  Ti  Ti5  1  0.073  0.751  0.442  1.0
  Ti  Ti6  1  0.927  0.249  0.558  1.0
  Ti  Ti7  1  0.751  0.073  0.942  1.0
  S  S8  1  0.714  0.712  0.461  1.0
  S  S9  1  0.712  0.714  0.961  1.0
  S  S10  1  0.979  0.187  0.362  1.0
  S  S11  1  0.356  0.644  0.250  1.0
  S  S12  1  0.813  0.021  0.138  1.0
  S  S13  1  0.187  0.979  0.862  1.0
  S  S14  1  0.644  0.356  0.750  1.0
  S  S15  1  0.021  0.813  0.638  1.0
  S  S16  1  0.288  0.286  0.039  1.0
  S  S17  1  0.286  0.288  0.539  1.0
[/CIF]
.
The material described by Li2Ti2S5 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to one S(3), two equivalent S(1), and two equivalent S(2) atoms to form distorted LiS5 trigonal bipyramids that share corners with three equivalent Li(1)S5 trigonal bipyramids, corners with six equivalent Ti(1)S5 trigonal bipyramids,  an edgeedge with one Li(1)S5 trigonal bipyramid, and edges with two equivalent Ti(1)S5 trigonal bipyramids. Ti(1) is bonded to one S(3), two equivalent S(1), and two equivalent S(2) atoms to form distorted TiS5 trigonal bipyramids that share  a cornercorner with one Ti(1)S5 trigonal bipyramid, corners with six equivalent Li(1)S5 trigonal bipyramids, edges with two equivalent Li(1)S5 trigonal bipyramids, and edges with two equivalent Ti(1)S5 trigonal bipyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent Ti(1) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent Ti(1) atoms. In the third S site, S(3) is bonded in a trigonal pyramidal geometry to two equivalent Li(1) and two equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Ti2S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.125
_cell_length_b   6.125
_cell_length_c   11.918
_cell_angle_alpha   68.751
_cell_angle_beta   68.751
_cell_angle_gamma   61.095
_symmetry_Int_Tables_number   1
_cell_volume   355.105
_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  0.825  0.556  0.176  1.0
  Li  Li1  1  0.556  0.825  0.676  1.0
  Li  Li2  1  0.444  0.175  0.324  1.0
  Li  Li3  1  0.175  0.444  0.824  1.0
  Ti  Ti4  1  0.249  0.927  0.058  1.0
  Ti  Ti5  1  0.073  0.751  0.442  1.0
  Ti  Ti6  1  0.927  0.249  0.558  1.0
  Ti  Ti7  1  0.751  0.073  0.942  1.0
  S  S8  1  0.714  0.712  0.461  1.0
  S  S9  1  0.712  0.714  0.961  1.0
  S  S10  1  0.979  0.187  0.362  1.0
  S  S11  1  0.356  0.644  0.250  1.0
  S  S12  1  0.813  0.021  0.138  1.0
  S  S13  1  0.187  0.979  0.862  1.0
  S  S14  1  0.644  0.356  0.750  1.0
  S  S15  1  0.021  0.813  0.638  1.0
  S  S16  1  0.288  0.286  0.039  1.0
  S  S17  1  0.286  0.288  0.539  1.0
[/CIF]
.