The material described by Li2CoO3 is Caswellsilverite-like structured and crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(11), one O(4), one O(5), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-12°. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(2), one O(3), one O(6), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the third Li site, Li(3) is bonded to one O(1), one O(11), one O(3), one O(6), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one 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(5)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-15°. In the fourth Li site, Li(4) is bonded to one O(10), one O(12), one O(2), one O(4), one O(5), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-14°. In the fifth Li site, Li(5) is bonded to one O(1), one O(12), one O(3), one O(6), one O(7), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. In the sixth Li site, Li(6) is bonded to one O(10), one O(11), one O(2), one O(4), one O(5), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-12°. In the seventh Li site, Li(7) is bonded to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Co(1)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 two equivalent Li(5)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the eighth Li site, Li(8) is bonded to one O(10), one O(12), one O(2), one O(4), one O(6), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-15°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(10), one O(11), one O(4), one O(5), and one O(8) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-13°. In the second Co site, Co(2) is bonded to one O(10), one O(12), one O(2), one O(3), one O(6), and one O(8) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the third Co site, Co(3) is bonded to one O(12), one O(2), one O(3), one O(6), one O(7), and one O(9) atom to form distorted CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the fourth Co site, Co(4) is bonded to one O(1), one O(11), one O(4), one O(5), one O(7), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)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 two equivalent Li(7)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), one Li(5), one Li(7), one Co(1), and one Co(4) atom to form a mixture of corner and edge-sharing OLi4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second O site, O(2) is bonded to one Li(2), one Li(4), one Li(6), one Li(8), one Co(2), and one Co(3) atom to form a mixture of corner and edge-sharing OLi4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-11°. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Li(5), one Li(7), one Co(2), and one Co(3) atom to form a mixture of corner and edge-sharing OLi4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the fourth O site, O(4) is bonded to one Li(1), one Li(4), one Li(6), one Li(8), one Co(1), and one Co(4) atom to form a mixture of corner and edge-sharing OLi4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the fifth O site, O(5) is bonded to one Li(1), one Li(4), one Li(6), one Li(7), one Co(1), and one Co(4) atom to form a mixture of corner and edge-sharing OLi4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one Li(5), one Li(8), one Co(2), and one Co(3) atom to form a mixture of distorted corner and edge-sharing OLi4Co2 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the seventh O site, O(7) is bonded to one Li(2), one Li(3), one Li(5), one Li(7), one Co(3), and one Co(4) atom to form a mixture of corner and edge-sharing OLi4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the eighth O site, O(8) is bonded to one Li(1), one Li(4), one Li(6), one Li(8), one Co(1), and one Co(2) atom to form a mixture of corner and edge-sharing OLi4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the ninth O site, O(9) is bonded to one Li(1), one Li(3), one Li(5), one Li(7), one Co(3), and one Co(4) atom to form a mixture of corner and edge-sharing OLi4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the tenth O site, O(10) is bonded to one Li(2), one Li(4), one Li(6), one Li(8), one Co(1), and one Co(2) atom to form a mixture of distorted corner and edge-sharing OLi4Co2 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the eleventh O site, O(11) is bonded to one Li(1), one Li(3), one Li(6), one Li(7), one Co(1), and one Co(4) atom to form a mixture of corner and edge-sharing OLi4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the twelfth O site, O(12) is bonded to one Li(2), one Li(4), one Li(5), one Li(8), one Co(2), and one Co(3) atom to form a mixture of corner and edge-sharing OLi4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. is represented by the CIF file [CIF]
data_Li2CoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.997
_cell_length_b   8.502
_cell_length_c   5.162
_cell_angle_alpha   105.055
_cell_angle_beta   79.337
_cell_angle_gamma   93.289
_symmetry_Int_Tables_number   1
_cell_volume   208.136
_cell_formula_units_Z   4
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  0.745  0.420  0.922  1.0
  Li  Li1  1  0.246  0.917  0.414  1.0
  Li  Li2  1  0.497  0.166  0.160  1.0
  Li  Li3  1  0.996  0.667  0.673  1.0
  Li  Li4  1  0.748  0.087  0.592  1.0
  Li  Li5  1  0.248  0.582  0.068  1.0
  Li  Li6  1  0.256  0.249  0.756  1.0
  Li  Li7  1  0.754  0.749  0.249  1.0
  Co  Co8  1  0.495  0.499  0.506  1.0
  Co  Co9  1  0.507  0.834  0.833  1.0
  Co  Co10  1  0.992  0.996  0.977  1.0
  Co  Co11  1  0.011  0.333  0.344  1.0
  O  O12  1  0.639  0.311  0.542  1.0
  O  O13  1  0.138  0.816  0.038  1.0
  O  O14  1  0.364  0.023  0.786  1.0
  O  O15  1  0.860  0.517  0.299  1.0
  O  O16  1  0.151  0.458  0.691  1.0
  O  O17  1  0.634  0.945  0.149  1.0
  O  O18  1  0.109  0.143  0.373  1.0
  O  O19  1  0.615  0.637  0.876  1.0
  O  O20  1  0.890  0.190  0.961  1.0
  O  O21  1  0.400  0.704  0.498  1.0
  O  O22  1  0.353  0.382  0.156  1.0
  O  O23  1  0.853  0.873  0.637  1.0
[/CIF]
.
The material described by Li2CoO3 is Caswellsilverite-like structured and crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(11), one O(4), one O(5), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-12°. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(2), one O(3), one O(6), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the third Li site, Li(3) is bonded to one O(1), one O(11), one O(3), one O(6), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one 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(5)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-15°. In the fourth Li site, Li(4) is bonded to one O(10), one O(12), one O(2), one O(4), one O(5), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-14°. In the fifth Li site, Li(5) is bonded to one O(1), one O(12), one O(3), one O(6), one O(7), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. In the sixth Li site, Li(6) is bonded to one O(10), one O(11), one O(2), one O(4), one O(5), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-12°. In the seventh Li site, Li(7) is bonded to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Co(1)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 two equivalent Li(5)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the eighth Li site, Li(8) is bonded to one O(10), one O(12), one O(2), one O(4), one O(6), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-15°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(10), one O(11), one O(4), one O(5), and one O(8) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-13°. In the second Co site, Co(2) is bonded to one O(10), one O(12), one O(2), one O(3), one O(6), and one O(8) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the third Co site, Co(3) is bonded to one O(12), one O(2), one O(3), one O(6), one O(7), and one O(9) atom to form distorted CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the fourth Co site, Co(4) is bonded to one O(1), one O(11), one O(4), one O(5), one O(7), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)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 two equivalent Li(7)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), one Li(5), one Li(7), one Co(1), and one Co(4) atom to form a mixture of corner and edge-sharing OLi4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second O site, O(2) is bonded to one Li(2), one Li(4), one Li(6), one Li(8), one Co(2), and one Co(3) atom to form a mixture of corner and edge-sharing OLi4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-11°. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Li(5), one Li(7), one Co(2), and one Co(3) atom to form a mixture of corner and edge-sharing OLi4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the fourth O site, O(4) is bonded to one Li(1), one Li(4), one Li(6), one Li(8), one Co(1), and one Co(4) atom to form a mixture of corner and edge-sharing OLi4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the fifth O site, O(5) is bonded to one Li(1), one Li(4), one Li(6), one Li(7), one Co(1), and one Co(4) atom to form a mixture of corner and edge-sharing OLi4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one Li(5), one Li(8), one Co(2), and one Co(3) atom to form a mixture of distorted corner and edge-sharing OLi4Co2 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the seventh O site, O(7) is bonded to one Li(2), one Li(3), one Li(5), one Li(7), one Co(3), and one Co(4) atom to form a mixture of corner and edge-sharing OLi4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the eighth O site, O(8) is bonded to one Li(1), one Li(4), one Li(6), one Li(8), one Co(1), and one Co(2) atom to form a mixture of corner and edge-sharing OLi4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the ninth O site, O(9) is bonded to one Li(1), one Li(3), one Li(5), one Li(7), one Co(3), and one Co(4) atom to form a mixture of corner and edge-sharing OLi4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the tenth O site, O(10) is bonded to one Li(2), one Li(4), one Li(6), one Li(8), one Co(1), and one Co(2) atom to form a mixture of distorted corner and edge-sharing OLi4Co2 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the eleventh O site, O(11) is bonded to one Li(1), one Li(3), one Li(6), one Li(7), one Co(1), and one Co(4) atom to form a mixture of corner and edge-sharing OLi4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the twelfth O site, O(12) is bonded to one Li(2), one Li(4), one Li(5), one Li(8), one Co(2), and one Co(3) atom to form a mixture of corner and edge-sharing OLi4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. is represented by the CIF file [CIF]
data_Li2CoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.997
_cell_length_b   8.502
_cell_length_c   5.162
_cell_angle_alpha   105.055
_cell_angle_beta   79.337
_cell_angle_gamma   93.289
_symmetry_Int_Tables_number   1
_cell_volume   208.136
_cell_formula_units_Z   4
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  0.745  0.420  0.922  1.0
  Li  Li1  1  0.246  0.917  0.414  1.0
  Li  Li2  1  0.497  0.166  0.160  1.0
  Li  Li3  1  0.996  0.667  0.673  1.0
  Li  Li4  1  0.748  0.087  0.592  1.0
  Li  Li5  1  0.248  0.582  0.068  1.0
  Li  Li6  1  0.256  0.249  0.756  1.0
  Li  Li7  1  0.754  0.749  0.249  1.0
  Co  Co8  1  0.495  0.499  0.506  1.0
  Co  Co9  1  0.507  0.834  0.833  1.0
  Co  Co10  1  0.992  0.996  0.977  1.0
  Co  Co11  1  0.011  0.333  0.344  1.0
  O  O12  1  0.639  0.311  0.542  1.0
  O  O13  1  0.138  0.816  0.038  1.0
  O  O14  1  0.364  0.023  0.786  1.0
  O  O15  1  0.860  0.517  0.299  1.0
  O  O16  1  0.151  0.458  0.691  1.0
  O  O17  1  0.634  0.945  0.149  1.0
  O  O18  1  0.109  0.143  0.373  1.0
  O  O19  1  0.615  0.637  0.876  1.0
  O  O20  1  0.890  0.190  0.961  1.0
  O  O21  1  0.400  0.704  0.498  1.0
  O  O22  1  0.353  0.382  0.156  1.0
  O  O23  1  0.853  0.873  0.637  1.0
[/CIF]
.