The material structure described by Li2MnCl4 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 Mn(1)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 55-59°. 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 Mn(1)Cl6 octahedra. Mn(1) is bonded to two equivalent Cl(2) and four equivalent Cl(1) atoms to form MnCl6 octahedra that share corners with six equivalent Li(1)Cl4 tetrahedra, edges with two equivalent Mn(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 Mn(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 Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2MnCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.368
_cell_length_b   7.368
_cell_length_c   7.368
_cell_angle_alpha   120.109
_cell_angle_beta   119.245
_cell_angle_gamma   90.563
_symmetry_Int_Tables_number   1
_cell_volume   284.159
_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  0.114  0.364  0.750  1.0
  Li  Li1  1  0.500  1.000  0.000  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Li  Li3  1  0.886  0.636  0.250  1.0
  Mn  Mn4  1  0.500  1.000  0.500  1.0
  Mn  Mn5  1  1.000  0.000  1.000  1.0
  Cl  Cl6  1  0.253  0.764  0.011  1.0
  Cl  Cl7  1  0.253  0.241  0.489  1.0
  Cl  Cl8  1  0.255  0.240  0.014  1.0
  Cl  Cl9  1  0.726  0.240  0.486  1.0
  Cl  Cl10  1  0.274  0.760  0.514  1.0
  Cl  Cl11  1  0.745  0.760  0.986  1.0
  Cl  Cl12  1  0.747  0.759  0.511  1.0
  Cl  Cl13  1  0.747  0.236  0.989  1.0
[/CIF]
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The material structure described by Li2MnCl4 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 Mn(1)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 55-59°. 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 Mn(1)Cl6 octahedra. Mn(1) is bonded to two equivalent Cl(2) and four equivalent Cl(1) atoms to form MnCl6 octahedra that share corners with six equivalent Li(1)Cl4 tetrahedra, edges with two equivalent Mn(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 Mn(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 Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2MnCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.368
_cell_length_b   7.368
_cell_length_c   7.368
_cell_angle_alpha   120.109
_cell_angle_beta   119.245
_cell_angle_gamma   90.563
_symmetry_Int_Tables_number   1
_cell_volume   284.159
_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  0.114  0.364  0.750  1.0
  Li  Li1  1  0.500  1.000  0.000  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Li  Li3  1  0.886  0.636  0.250  1.0
  Mn  Mn4  1  0.500  1.000  0.500  1.0
  Mn  Mn5  1  1.000  0.000  1.000  1.0
  Cl  Cl6  1  0.253  0.764  0.011  1.0
  Cl  Cl7  1  0.253  0.241  0.489  1.0
  Cl  Cl8  1  0.255  0.240  0.014  1.0
  Cl  Cl9  1  0.726  0.240  0.486  1.0
  Cl  Cl10  1  0.274  0.760  0.514  1.0
  Cl  Cl11  1  0.745  0.760  0.986  1.0
  Cl  Cl12  1  0.747  0.759  0.511  1.0
  Cl  Cl13  1  0.747  0.236  0.989  1.0
[/CIF]
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