The material described by LiCoO2 is Caswellsilverite-like structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), two equivalent O(3), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with three equivalent Co(3)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, corners with three equivalent Co(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-13°. In the third Li site, Li(3) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-12°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form CoO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-13°. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. In the third Co site, Co(3) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form CoO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Co(1), one Co(2), and two equivalent Co(3) atoms to form OLi2Co4 octahedra that share  a cornercorner with one O(1)Li2Co4 octahedra,  a cornercorner with one O(2)Li2Co4 octahedra,  a cornercorner with one O(4)Li3Co3 octahedra,  a cornercorner with one O(3)Li4Co2 octahedra, corners with two equivalent O(5)Li4Co2 octahedra,  an edgeedge with one O(1)Li2Co4 octahedra, edges with two equivalent O(3)Li4Co2 octahedra, edges with two equivalent O(5)Li4Co2 octahedra, edges with three equivalent O(4)Li3Co3 octahedra, and edges with four equivalent O(2)Li2Co4 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the second O site, O(2) is bonded to two equivalent Li(2), one Co(1), one Co(2), and two equivalent Co(3) atoms to form OLi2Co4 octahedra that share  a cornercorner with one O(1)Li2Co4 octahedra,  a cornercorner with one O(2)Li2Co4 octahedra,  a cornercorner with one O(4)Li3Co3 octahedra,  a cornercorner with one O(5)Li4Co2 octahedra, corners with two equivalent O(3)Li4Co2 octahedra,  an edgeedge with one O(3)Li4Co2 octahedra, edges with two equivalent O(2)Li2Co4 octahedra, edges with two equivalent O(5)Li4Co2 octahedra, edges with three equivalent O(4)Li3Co3 octahedra, and edges with four equivalent O(1)Li2Co4 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the third O site, O(3) is bonded to one Li(2), one Li(3), two equivalent Li(1), and two equivalent Co(1) atoms to form OLi4Co2 octahedra that share  a cornercorner with one O(1)Li2Co4 octahedra,  a cornercorner with one O(4)Li3Co3 octahedra,  a cornercorner with one O(3)Li4Co2 octahedra,  a cornercorner with one O(5)Li4Co2 octahedra, corners with two equivalent O(2)Li2Co4 octahedra,  an edgeedge with one O(2)Li2Co4 octahedra, edges with two equivalent O(1)Li2Co4 octahedra, edges with two equivalent O(3)Li4Co2 octahedra, edges with three equivalent O(4)Li3Co3 octahedra, and edges with four equivalent O(5)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Co(1), one Co(2), and one Co(3) atom to form OLi3Co3 octahedra that share  a cornercorner with one O(1)Li2Co4 octahedra,  a cornercorner with one O(2)Li2Co4 octahedra,  a cornercorner with one O(3)Li4Co2 octahedra,  a cornercorner with one O(5)Li4Co2 octahedra, corners with two equivalent O(4)Li3Co3 octahedra, edges with three equivalent O(1)Li2Co4 octahedra, edges with three equivalent O(2)Li2Co4 octahedra, edges with three equivalent O(3)Li4Co2 octahedra, and edges with three equivalent O(5)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Co(1), and one Co(3) atom to form OLi4Co2 octahedra that share  a cornercorner with one O(2)Li2Co4 octahedra,  a cornercorner with one O(4)Li3Co3 octahedra,  a cornercorner with one O(3)Li4Co2 octahedra,  a cornercorner with one O(5)Li4Co2 octahedra, corners with two equivalent O(1)Li2Co4 octahedra,  an edgeedge with one O(5)Li4Co2 octahedra, edges with two equivalent O(1)Li2Co4 octahedra, edges with two equivalent O(2)Li2Co4 octahedra, edges with three equivalent O(4)Li3Co3 octahedra, and edges with four equivalent O(3)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. is represented by the CIF card [CIF]
data_LiCoO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.953
_cell_length_b   5.003
_cell_length_c   7.573
_cell_angle_alpha   108.771
_cell_angle_beta   102.851
_cell_angle_gamma   99.450
_symmetry_Int_Tables_number   1
_cell_volume   167.512
_cell_formula_units_Z   5
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  0.213  0.915  0.415  1.0
  Li  Li1  1  0.392  0.289  0.779  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Li  Li3  1  0.608  0.711  0.221  1.0
  Li  Li4  1  0.787  0.085  0.585  1.0
  Co  Co5  1  0.103  0.699  0.695  1.0
  Co  Co6  1  0.000  0.500  0.000  1.0
  Co  Co7  1  0.697  0.897  0.899  1.0
  Co  Co8  1  0.303  0.103  0.101  1.0
  Co  Co9  1  0.897  0.301  0.305  1.0
  O  O10  1  0.038  0.081  0.858  1.0
  O  O11  1  0.348  0.726  0.949  1.0
  O  O12  1  0.130  0.323  0.548  1.0
  O  O13  1  0.228  0.473  0.231  1.0
  O  O14  1  0.446  0.890  0.666  1.0
  O  O15  1  0.554  0.110  0.334  1.0
  O  O16  1  0.772  0.527  0.769  1.0
  O  O17  1  0.870  0.677  0.452  1.0
  O  O18  1  0.652  0.274  0.051  1.0
  O  O19  1  0.962  0.919  0.142  1.0
[/CIF]
.
The material described by LiCoO2 is Caswellsilverite-like structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), two equivalent O(3), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with three equivalent Co(3)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, corners with three equivalent Co(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-13°. In the third Li site, Li(3) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-12°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form CoO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-13°. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. In the third Co site, Co(3) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form CoO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Co(1), one Co(2), and two equivalent Co(3) atoms to form OLi2Co4 octahedra that share  a cornercorner with one O(1)Li2Co4 octahedra,  a cornercorner with one O(2)Li2Co4 octahedra,  a cornercorner with one O(4)Li3Co3 octahedra,  a cornercorner with one O(3)Li4Co2 octahedra, corners with two equivalent O(5)Li4Co2 octahedra,  an edgeedge with one O(1)Li2Co4 octahedra, edges with two equivalent O(3)Li4Co2 octahedra, edges with two equivalent O(5)Li4Co2 octahedra, edges with three equivalent O(4)Li3Co3 octahedra, and edges with four equivalent O(2)Li2Co4 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the second O site, O(2) is bonded to two equivalent Li(2), one Co(1), one Co(2), and two equivalent Co(3) atoms to form OLi2Co4 octahedra that share  a cornercorner with one O(1)Li2Co4 octahedra,  a cornercorner with one O(2)Li2Co4 octahedra,  a cornercorner with one O(4)Li3Co3 octahedra,  a cornercorner with one O(5)Li4Co2 octahedra, corners with two equivalent O(3)Li4Co2 octahedra,  an edgeedge with one O(3)Li4Co2 octahedra, edges with two equivalent O(2)Li2Co4 octahedra, edges with two equivalent O(5)Li4Co2 octahedra, edges with three equivalent O(4)Li3Co3 octahedra, and edges with four equivalent O(1)Li2Co4 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the third O site, O(3) is bonded to one Li(2), one Li(3), two equivalent Li(1), and two equivalent Co(1) atoms to form OLi4Co2 octahedra that share  a cornercorner with one O(1)Li2Co4 octahedra,  a cornercorner with one O(4)Li3Co3 octahedra,  a cornercorner with one O(3)Li4Co2 octahedra,  a cornercorner with one O(5)Li4Co2 octahedra, corners with two equivalent O(2)Li2Co4 octahedra,  an edgeedge with one O(2)Li2Co4 octahedra, edges with two equivalent O(1)Li2Co4 octahedra, edges with two equivalent O(3)Li4Co2 octahedra, edges with three equivalent O(4)Li3Co3 octahedra, and edges with four equivalent O(5)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Co(1), one Co(2), and one Co(3) atom to form OLi3Co3 octahedra that share  a cornercorner with one O(1)Li2Co4 octahedra,  a cornercorner with one O(2)Li2Co4 octahedra,  a cornercorner with one O(3)Li4Co2 octahedra,  a cornercorner with one O(5)Li4Co2 octahedra, corners with two equivalent O(4)Li3Co3 octahedra, edges with three equivalent O(1)Li2Co4 octahedra, edges with three equivalent O(2)Li2Co4 octahedra, edges with three equivalent O(3)Li4Co2 octahedra, and edges with three equivalent O(5)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Co(1), and one Co(3) atom to form OLi4Co2 octahedra that share  a cornercorner with one O(2)Li2Co4 octahedra,  a cornercorner with one O(4)Li3Co3 octahedra,  a cornercorner with one O(3)Li4Co2 octahedra,  a cornercorner with one O(5)Li4Co2 octahedra, corners with two equivalent O(1)Li2Co4 octahedra,  an edgeedge with one O(5)Li4Co2 octahedra, edges with two equivalent O(1)Li2Co4 octahedra, edges with two equivalent O(2)Li2Co4 octahedra, edges with three equivalent O(4)Li3Co3 octahedra, and edges with four equivalent O(3)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. is represented by the CIF card [CIF]
data_LiCoO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.953
_cell_length_b   5.003
_cell_length_c   7.573
_cell_angle_alpha   108.771
_cell_angle_beta   102.851
_cell_angle_gamma   99.450
_symmetry_Int_Tables_number   1
_cell_volume   167.512
_cell_formula_units_Z   5
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  0.213  0.915  0.415  1.0
  Li  Li1  1  0.392  0.289  0.779  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Li  Li3  1  0.608  0.711  0.221  1.0
  Li  Li4  1  0.787  0.085  0.585  1.0
  Co  Co5  1  0.103  0.699  0.695  1.0
  Co  Co6  1  0.000  0.500  0.000  1.0
  Co  Co7  1  0.697  0.897  0.899  1.0
  Co  Co8  1  0.303  0.103  0.101  1.0
  Co  Co9  1  0.897  0.301  0.305  1.0
  O  O10  1  0.038  0.081  0.858  1.0
  O  O11  1  0.348  0.726  0.949  1.0
  O  O12  1  0.130  0.323  0.548  1.0
  O  O13  1  0.228  0.473  0.231  1.0
  O  O14  1  0.446  0.890  0.666  1.0
  O  O15  1  0.554  0.110  0.334  1.0
  O  O16  1  0.772  0.527  0.769  1.0
  O  O17  1  0.870  0.677  0.452  1.0
  O  O18  1  0.652  0.274  0.051  1.0
  O  O19  1  0.962  0.919  0.142  1.0
[/CIF]
.