data_LiTiCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34
_cell_length_b   5.09
_cell_length_c   4.63
_cell_angle_alpha   90.0
_cell_angle_beta   109.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTiCl2
_chemical_formula_sum   'Li1 Ti1 Cl2'
_cell_volume   73.98
_cell_formula_units_Z   1
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  Li2  1  0.02  0.0  0.19  1.0
  Ti  Ti3  1  0.74  0.54  0.71  1.0
  Cl  Cl0  1  0.72  0.0  0.45  1.0
  Cl  Cl1  1  0.5  0.54  0.18  1.0

data_LiTiCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   4.63
_cell_length_c   5.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTiCl2
_chemical_formula_sum   'Li1 Ti1 Cl2'
_cell_volume   73.98
_cell_formula_units_Z   1
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  0.98  0.81  0.0  1.0
  Ti  Ti1  1  0.26  0.29  0.46  1.0
  Cl  Cl2  1  0.28  0.55  0.0  1.0
  Cl  Cl3  1  0.5  0.82  0.46  1.0

Li Ti Cl Cl
LiTiCl2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a distorted water-like geometry to two equivalent Cl(1) and two equivalent Cl(2) atoms. There is one shorter (1.84 Å) and one longer (2.21 Å) Li(1)-Cl(1) bond length. There is one shorter (2.82 Å) and one longer (2.89 Å) Li(1)-Cl(2) bond length. Ti(1) is bonded in a 5-coordinate geometry to two equivalent Cl(1) and three equivalent Cl(2) atoms. There is one shorter (2.61 Å) and one longer (3.02 Å) Ti(1)-Cl(1) bond length. There are a spread of Ti(1)-Cl(2) bond distances ranging from 2.33-2.71 Å. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 2-coordinate geometry to two equivalent Li(1) and two equivalent Ti(1) atoms. In the second Cl site, Cl(2) is bonded in a 5-coordinate geometry to two equivalent Li(1) and three equivalent Ti(1) atoms.