The crystal structure described by Li2MgCl4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent Cl(1) and two equivalent Cl(2) atoms to form LiCl4 tetrahedra that share corners with six equivalent Li(2)Cl6 octahedra and corners with six equivalent Mg(1)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 56-58°. In the second Li site, Li(2) is bonded to two equivalent Cl(1) and four equivalent Cl(2) atoms to form LiCl6 octahedra that share corners with six equivalent Li(1)Cl4 tetrahedra, edges with two equivalent Li(2)Cl6 octahedra, and edges with four equivalent Mg(1)Cl6 octahedra. Mg(1) is bonded to two equivalent Cl(2) and four equivalent Cl(1) atoms to form MgCl6 octahedra that share corners with six equivalent Li(1)Cl4 tetrahedra, edges with two equivalent Mg(1)Cl6 octahedra, and edges with four equivalent Li(2)Cl6 octahedra. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), and two equivalent Mg(1) atoms. In the second Cl site, Cl(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Li(2), and one Mg(1) atom. is represented by the CIF file [CIF]
data_Li2MgCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.333
_cell_length_b   7.333
_cell_length_c   7.309
_cell_angle_alpha   60.112
_cell_angle_beta   60.112
_cell_angle_gamma   60.377
_symmetry_Int_Tables_number   1
_cell_volume   279.193
_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  0.115  0.115  0.135  1.0
  Li  Li1  1  0.500  0.500  0.000  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Li  Li3  1  0.885  0.885  0.865  1.0
  Mg  Mg4  1  0.000  0.500  0.500  1.0
  Mg  Mg5  1  0.500  0.000  0.500  1.0
  Cl  Cl6  1  0.253  0.253  0.261  1.0
  Cl  Cl7  1  0.253  0.253  0.734  1.0
  Cl  Cl8  1  0.252  0.725  0.261  1.0
  Cl  Cl9  1  0.725  0.252  0.261  1.0
  Cl  Cl10  1  0.275  0.748  0.739  1.0
  Cl  Cl11  1  0.748  0.275  0.739  1.0
  Cl  Cl12  1  0.747  0.747  0.266  1.0
  Cl  Cl13  1  0.747  0.747  0.739  1.0
[/CIF]
.
The crystal structure described by Li2MgCl4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent Cl(1) and two equivalent Cl(2) atoms to form LiCl4 tetrahedra that share corners with six equivalent Li(2)Cl6 octahedra and corners with six equivalent Mg(1)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 56-58°. In the second Li site, Li(2) is bonded to two equivalent Cl(1) and four equivalent Cl(2) atoms to form LiCl6 octahedra that share corners with six equivalent Li(1)Cl4 tetrahedra, edges with two equivalent Li(2)Cl6 octahedra, and edges with four equivalent Mg(1)Cl6 octahedra. Mg(1) is bonded to two equivalent Cl(2) and four equivalent Cl(1) atoms to form MgCl6 octahedra that share corners with six equivalent Li(1)Cl4 tetrahedra, edges with two equivalent Mg(1)Cl6 octahedra, and edges with four equivalent Li(2)Cl6 octahedra. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), and two equivalent Mg(1) atoms. In the second Cl site, Cl(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Li(2), and one Mg(1) atom. is represented by the CIF file [CIF]
data_Li2MgCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.333
_cell_length_b   7.333
_cell_length_c   7.309
_cell_angle_alpha   60.112
_cell_angle_beta   60.112
_cell_angle_gamma   60.377
_symmetry_Int_Tables_number   1
_cell_volume   279.193
_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  0.115  0.115  0.135  1.0
  Li  Li1  1  0.500  0.500  0.000  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Li  Li3  1  0.885  0.885  0.865  1.0
  Mg  Mg4  1  0.000  0.500  0.500  1.0
  Mg  Mg5  1  0.500  0.000  0.500  1.0
  Cl  Cl6  1  0.253  0.253  0.261  1.0
  Cl  Cl7  1  0.253  0.253  0.734  1.0
  Cl  Cl8  1  0.252  0.725  0.261  1.0
  Cl  Cl9  1  0.725  0.252  0.261  1.0
  Cl  Cl10  1  0.275  0.748  0.739  1.0
  Cl  Cl11  1  0.748  0.275  0.739  1.0
  Cl  Cl12  1  0.747  0.747  0.266  1.0
  Cl  Cl13  1  0.747  0.747  0.739  1.0
[/CIF]
.