data_LiMnCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.58
_cell_length_b   3.58
_cell_length_c   7.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   123.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnCl2
_chemical_formula_sum   'Li1 Mn1 Cl2'
_cell_volume   77.68
_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  0.0  1.0
  Mn  Mn3  1  0.0  0.0  0.65  1.0
  Cl  Cl0  1  0.69  0.0  0.58  1.0
  Cl  Cl1  1  0.69  0.0  0.71  1.0

data_LiMnCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   3.58
_cell_length_c   7.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnCl2
_chemical_formula_sum   'Li1 Mn1 Cl2'
_cell_volume   77.68
_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  0.0  1.0
  Mn  Mn1  1  0.0  0.0  0.65  1.0
  Cl  Cl2  1  0.0  0.69  0.58  1.0
  Cl  Cl3  1  0.0  0.69  0.71  1.0

Li Mn Cl Cl
LiMnCl2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LiMnCl2 cluster. Li(1) is bonded in a distorted single-bond geometry to one Cl(2) atom. The Li(1)-Cl(2) bond length is 2.37 Å. Mn(1) is bonded in a 2-coordinate geometry to one Cl(1) and one Cl(2) atom. The Mn(1)-Cl(1) bond length is 1.23 Å. The Mn(1)-Cl(2) bond length is 1.23 Å. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 2-coordinate geometry to one Mn(1) and one Cl(2) atom. The Cl(1)-Cl(2) bond length is 0.99 Å. In the second Cl site, Cl(2) is bonded in a 1-coordinate geometry to one Li(1), one Mn(1), and one Cl(1) atom.