The material structure described by LiCo2O3 is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with ten equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, edges with five equivalent Li(1)O6 octahedra, and edges with seven equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1) and four equivalent Co(1) atoms to form a mixture of corner and edge-sharing OLi2Co4 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second O site, O(2) is bonded to two equivalent Li(1) and four equivalent Co(1) atoms to form a mixture of corner and edge-sharing OLi2Co4 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. is represented by the CIF card [CIF]
data_LiCo2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.119
_cell_length_b   5.119
_cell_length_c   5.119
_cell_angle_alpha   146.670
_cell_angle_beta   131.950
_cell_angle_gamma   59.735
_symmetry_Int_Tables_number   1
_cell_volume   54.324
_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  0.000  0.000  0.000  1.0
  Co  Co1  1  0.665  0.665  0.000  1.0
  Co  Co2  1  0.335  0.335  0.000  1.0
  O  O3  1  0.500  0.000  0.500  1.0
  O  O4  1  0.179  0.679  0.500  1.0
  O  O5  1  0.821  0.321  0.500  1.0
[/CIF]
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The material structure described by LiCo2O3 is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with ten equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, edges with five equivalent Li(1)O6 octahedra, and edges with seven equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1) and four equivalent Co(1) atoms to form a mixture of corner and edge-sharing OLi2Co4 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second O site, O(2) is bonded to two equivalent Li(1) and four equivalent Co(1) atoms to form a mixture of corner and edge-sharing OLi2Co4 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. is represented by the CIF card [CIF]
data_LiCo2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.119
_cell_length_b   5.119
_cell_length_c   5.119
_cell_angle_alpha   146.670
_cell_angle_beta   131.950
_cell_angle_gamma   59.735
_symmetry_Int_Tables_number   1
_cell_volume   54.324
_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  0.000  0.000  0.000  1.0
  Co  Co1  1  0.665  0.665  0.000  1.0
  Co  Co2  1  0.335  0.335  0.000  1.0
  O  O3  1  0.500  0.000  0.500  1.0
  O  O4  1  0.179  0.679  0.500  1.0
  O  O5  1  0.821  0.321  0.500  1.0
[/CIF]
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