The structure described by Li2ZnCl4 is Spinel structured and crystallizes in the cubic Fd-3m space group. Li(1) is bonded to six equivalent Cl(1) atoms to form LiCl6 octahedra that share corners with six equivalent Zn(1)Cl4 tetrahedra and edges with six equivalent Li(1)Cl6 octahedra. Zn(1) is bonded to four equivalent Cl(1) atoms to form ZnCl4 tetrahedra that share corners with twelve equivalent Li(1)Cl6 octahedra. The corner-sharing octahedral tilt angles are 56°. Cl(1) is bonded in a rectangular see-saw-like geometry to three equivalent Li(1) and one Zn(1) atom. is represented by the CIF file [CIF]
data_Li2ZnCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.272
_cell_length_b   7.272
_cell_length_c   7.272
_cell_angle_alpha   60.002
_cell_angle_beta   60.002
_cell_angle_gamma   60.002
_symmetry_Int_Tables_number   1
_cell_volume   271.984
_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  0.125  0.125  0.625  1.0
  Li  Li1  1  0.125  0.625  0.125  1.0
  Li  Li2  1  0.125  0.125  0.125  1.0
  Li  Li3  1  0.625  0.125  0.125  1.0
  Zn  Zn4  1  0.500  0.500  0.500  1.0
  Zn  Zn5  1  0.750  0.750  0.750  1.0
  Cl  Cl6  1  0.365  0.878  0.878  1.0
  Cl  Cl7  1  0.372  0.372  0.372  1.0
  Cl  Cl8  1  0.878  0.878  0.878  1.0
  Cl  Cl9  1  0.885  0.372  0.372  1.0
  Cl  Cl10  1  0.372  0.885  0.372  1.0
  Cl  Cl11  1  0.372  0.372  0.885  1.0
  Cl  Cl12  1  0.878  0.365  0.878  1.0
  Cl  Cl13  1  0.878  0.878  0.365  1.0
[/CIF]
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The structure described by Li2ZnCl4 is Spinel structured and crystallizes in the cubic Fd-3m space group. Li(1) is bonded to six equivalent Cl(1) atoms to form LiCl6 octahedra that share corners with six equivalent Zn(1)Cl4 tetrahedra and edges with six equivalent Li(1)Cl6 octahedra. Zn(1) is bonded to four equivalent Cl(1) atoms to form ZnCl4 tetrahedra that share corners with twelve equivalent Li(1)Cl6 octahedra. The corner-sharing octahedral tilt angles are 56°. Cl(1) is bonded in a rectangular see-saw-like geometry to three equivalent Li(1) and one Zn(1) atom. is represented by the CIF file [CIF]
data_Li2ZnCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.272
_cell_length_b   7.272
_cell_length_c   7.272
_cell_angle_alpha   60.002
_cell_angle_beta   60.002
_cell_angle_gamma   60.002
_symmetry_Int_Tables_number   1
_cell_volume   271.984
_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  0.125  0.125  0.625  1.0
  Li  Li1  1  0.125  0.625  0.125  1.0
  Li  Li2  1  0.125  0.125  0.125  1.0
  Li  Li3  1  0.625  0.125  0.125  1.0
  Zn  Zn4  1  0.500  0.500  0.500  1.0
  Zn  Zn5  1  0.750  0.750  0.750  1.0
  Cl  Cl6  1  0.365  0.878  0.878  1.0
  Cl  Cl7  1  0.372  0.372  0.372  1.0
  Cl  Cl8  1  0.878  0.878  0.878  1.0
  Cl  Cl9  1  0.885  0.372  0.372  1.0
  Cl  Cl10  1  0.372  0.885  0.372  1.0
  Cl  Cl11  1  0.372  0.372  0.885  1.0
  Cl  Cl12  1  0.878  0.365  0.878  1.0
  Cl  Cl13  1  0.878  0.878  0.365  1.0
[/CIF]
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