The compound described by Li2CoCl4 crystallizes in the orthorhombic Cmmm space group. Li(1) 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)Cl6 octahedra, edges with four equivalent Li(1)Cl6 octahedra, and edges with four equivalent Co(1)Cl6 octahedra. The corner-sharing octahedral tilt angles are 7°. Co(1) is bonded to two equivalent Cl(2) and four equivalent Cl(1) atoms to form CoCl6 octahedra that share edges with two equivalent Co(1)Cl6 octahedra and edges with eight equivalent Li(1)Cl6 octahedra. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent Co(1) atoms. In the second Cl site, Cl(2) is bonded to four equivalent Li(1) and one Co(1) atom to form a mixture of edge and corner-sharing ClLi4Co square pyramids. is represented by the CIF card [CIF]
data_Li2CoCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.104
_cell_length_b   6.104
_cell_length_c   3.589
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   107.273
_symmetry_Int_Tables_number   1
_cell_volume   127.718
_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  0.500  0.000  0.500  1.0
  Li  Li1  1  0.000  0.500  0.500  1.0
  Co  Co2  1  0.000  0.000  0.000  1.0
  Cl  Cl3  1  0.771  0.771  0.500  1.0
  Cl  Cl4  1  0.766  0.234  0.000  1.0
  Cl  Cl5  1  0.229  0.229  0.500  1.0
  Cl  Cl6  1  0.234  0.766  0.000  1.0
[/CIF]
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The compound described by Li2CoCl4 crystallizes in the orthorhombic Cmmm space group. Li(1) 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)Cl6 octahedra, edges with four equivalent Li(1)Cl6 octahedra, and edges with four equivalent Co(1)Cl6 octahedra. The corner-sharing octahedral tilt angles are 7°. Co(1) is bonded to two equivalent Cl(2) and four equivalent Cl(1) atoms to form CoCl6 octahedra that share edges with two equivalent Co(1)Cl6 octahedra and edges with eight equivalent Li(1)Cl6 octahedra. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent Co(1) atoms. In the second Cl site, Cl(2) is bonded to four equivalent Li(1) and one Co(1) atom to form a mixture of edge and corner-sharing ClLi4Co square pyramids. is represented by the CIF card [CIF]
data_Li2CoCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.104
_cell_length_b   6.104
_cell_length_c   3.589
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   107.273
_symmetry_Int_Tables_number   1
_cell_volume   127.718
_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  0.500  0.000  0.500  1.0
  Li  Li1  1  0.000  0.500  0.500  1.0
  Co  Co2  1  0.000  0.000  0.000  1.0
  Cl  Cl3  1  0.771  0.771  0.500  1.0
  Cl  Cl4  1  0.766  0.234  0.000  1.0
  Cl  Cl5  1  0.229  0.229  0.500  1.0
  Cl  Cl6  1  0.234  0.766  0.000  1.0
[/CIF]
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