The compound described by Li2CoO2 crystallizes in the trigonal P-3m1 space group. Li(1) is bonded to four equivalent O(1) atoms to form LiO4 tetrahedra that share corners with six equivalent Co(1)O6 octahedra, corners with six equivalent Li(1)O4 tetrahedra, edges with three equivalent Co(1)O6 octahedra, and edges with three equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-56°. Co(1) is bonded to six equivalent O(1) atoms to form CoO6 octahedra that share corners with twelve equivalent Li(1)O4 tetrahedra, edges with six equivalent Co(1)O6 octahedra, and edges with six equivalent Li(1)O4 tetrahedra. O(1) is bonded in a 7-coordinate geometry to four equivalent Li(1) and three equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_Li2CoO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.153
_cell_length_b   3.153
_cell_length_c   5.124
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   44.118
_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  0.333  0.667  0.643  1.0
  Li  Li1  1  0.667  0.333  0.357  1.0
  Co  Co2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.333  0.667  0.237  1.0
  O  O4  1  0.667  0.333  0.763  1.0
[/CIF]
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The compound described by Li2CoO2 crystallizes in the trigonal P-3m1 space group. Li(1) is bonded to four equivalent O(1) atoms to form LiO4 tetrahedra that share corners with six equivalent Co(1)O6 octahedra, corners with six equivalent Li(1)O4 tetrahedra, edges with three equivalent Co(1)O6 octahedra, and edges with three equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-56°. Co(1) is bonded to six equivalent O(1) atoms to form CoO6 octahedra that share corners with twelve equivalent Li(1)O4 tetrahedra, edges with six equivalent Co(1)O6 octahedra, and edges with six equivalent Li(1)O4 tetrahedra. O(1) is bonded in a 7-coordinate geometry to four equivalent Li(1) and three equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_Li2CoO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.153
_cell_length_b   3.153
_cell_length_c   5.124
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   44.118
_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  0.333  0.667  0.643  1.0
  Li  Li1  1  0.667  0.333  0.357  1.0
  Co  Co2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.333  0.667  0.237  1.0
  O  O4  1  0.667  0.333  0.763  1.0
[/CIF]
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