data_Li2CuCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   7.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CuCl
_chemical_formula_sum   'Li2 Cu1 Cl1'
_cell_volume   74.11
_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  0.0  0.0  0.16  1.0
  Li  Li3  1  0.19  0.0  0.18  1.0
  Cu  Cu1  1  0.19  0.0  0.46  1.0
  Cl  Cl0  1  0.0  0.0  0.96  1.0

data_Li2CuCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   7.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CuCl
_chemical_formula_sum   'Li2 Cu1 Cl1'
_cell_volume   74.11
_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  0.0  0.0  0.16  1.0
  Li  Li1  1  0.19  0.0  0.18  1.0
  Cu  Cu2  1  0.19  0.0  0.46  1.0
  Cl  Cl3  1  0.0  0.0  0.96  1.0

Li Li Cu Cl
Li2CuCl is alpha Niobium phosphide-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Li2CuCl cluster. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted water-like geometry to one Li(2) and one Cl(1) atom. The Li(1)-Li(2) bond length is 0.60 Å. The Li(1)-Cl(1) bond length is 1.50 Å. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one Cl(1) atom. The Li(2)-Cu(1) bond length is 2.04 Å. The Li(2)-Cl(1) bond length is 1.68 Å. Cu(1) is bonded in a distorted single-bond geometry to one Li(2) atom. Cl(1) is bonded in a distorted single-bond geometry to one Li(1) and one Li(2) atom.