The material described by Li2CoO3 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(2), two equivalent O(3), and three equivalent O(1) atoms to form LiO6 octahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Co(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with five equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the second Li site, Li(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the third Li site, Li(3) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. Co(1) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form distorted CoO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with four equivalent Co(1)O6 octahedra, and edges with five equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(1) and three equivalent Co(1) atoms to form OLi3Co3 octahedra that share corners with three equivalent O(2)Li4Co2 octahedra, corners with three equivalent O(3)Li5Co octahedra, edges with three equivalent O(2)Li4Co2 octahedra, edges with three equivalent O(3)Li5Co octahedra, and edges with six equivalent O(1)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second O site, O(2) is bonded to one Li(1), one Li(3), two equivalent Li(2), and two equivalent Co(1) atoms to form OLi4Co2 octahedra that share corners with three equivalent O(1)Li3Co3 octahedra, corners with three equivalent O(2)Li4Co2 octahedra, edges with three equivalent O(1)Li3Co3 octahedra, edges with three equivalent O(2)Li4Co2 octahedra, and edges with six equivalent O(3)Li5Co octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), two equivalent Li(3), and one Co(1) atom to form OLi5Co octahedra that share corners with three equivalent O(1)Li3Co3 octahedra, corners with three equivalent O(3)Li5Co octahedra, edges with three equivalent O(1)Li3Co3 octahedra, edges with three equivalent O(3)Li5Co octahedra, and edges with six equivalent O(2)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2CoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.978
_cell_length_b   5.001
_cell_length_c   7.476
_cell_angle_alpha   106.581
_cell_angle_beta   98.954
_cell_angle_gamma   88.620
_symmetry_Int_Tables_number   1
_cell_volume   105.391
_cell_formula_units_Z   2
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  0.337  0.502  0.166  1.0
  Li  Li1  1  0.000  0.500  0.500  1.0
  Li  Li2  1  0.663  0.498  0.834  1.0
  Li  Li3  1  0.500  0.000  0.500  1.0
  Co  Co4  1  0.156  0.994  0.821  1.0
  Co  Co5  1  0.844  0.006  0.179  1.0
  O  O6  1  0.774  0.217  0.002  1.0
  O  O7  1  0.439  0.236  0.321  1.0
  O  O8  1  0.096  0.230  0.689  1.0
  O  O9  1  0.904  0.770  0.311  1.0
  O  O10  1  0.561  0.764  0.679  1.0
  O  O11  1  0.226  0.783  0.998  1.0
[/CIF]
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The material described by Li2CoO3 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(2), two equivalent O(3), and three equivalent O(1) atoms to form LiO6 octahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Co(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with five equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the second Li site, Li(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the third Li site, Li(3) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. Co(1) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form distorted CoO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with four equivalent Co(1)O6 octahedra, and edges with five equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(1) and three equivalent Co(1) atoms to form OLi3Co3 octahedra that share corners with three equivalent O(2)Li4Co2 octahedra, corners with three equivalent O(3)Li5Co octahedra, edges with three equivalent O(2)Li4Co2 octahedra, edges with three equivalent O(3)Li5Co octahedra, and edges with six equivalent O(1)Li3Co3 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second O site, O(2) is bonded to one Li(1), one Li(3), two equivalent Li(2), and two equivalent Co(1) atoms to form OLi4Co2 octahedra that share corners with three equivalent O(1)Li3Co3 octahedra, corners with three equivalent O(2)Li4Co2 octahedra, edges with three equivalent O(1)Li3Co3 octahedra, edges with three equivalent O(2)Li4Co2 octahedra, and edges with six equivalent O(3)Li5Co octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), two equivalent Li(3), and one Co(1) atom to form OLi5Co octahedra that share corners with three equivalent O(1)Li3Co3 octahedra, corners with three equivalent O(3)Li5Co octahedra, edges with three equivalent O(1)Li3Co3 octahedra, edges with three equivalent O(3)Li5Co octahedra, and edges with six equivalent O(2)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2CoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.978
_cell_length_b   5.001
_cell_length_c   7.476
_cell_angle_alpha   106.581
_cell_angle_beta   98.954
_cell_angle_gamma   88.620
_symmetry_Int_Tables_number   1
_cell_volume   105.391
_cell_formula_units_Z   2
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  0.337  0.502  0.166  1.0
  Li  Li1  1  0.000  0.500  0.500  1.0
  Li  Li2  1  0.663  0.498  0.834  1.0
  Li  Li3  1  0.500  0.000  0.500  1.0
  Co  Co4  1  0.156  0.994  0.821  1.0
  Co  Co5  1  0.844  0.006  0.179  1.0
  O  O6  1  0.774  0.217  0.002  1.0
  O  O7  1  0.439  0.236  0.321  1.0
  O  O8  1  0.096  0.230  0.689  1.0
  O  O9  1  0.904  0.770  0.311  1.0
  O  O10  1  0.561  0.764  0.679  1.0
  O  O11  1  0.226  0.783  0.998  1.0
[/CIF]
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