The structure described by LiCo8O9 is Caswellsilverite-like structured and crystallizes in the triclinic P-1 space group. Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, corners with two equivalent Co(4)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, edges with four equivalent Co(2)O6 octahedra, and edges with four equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Co(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with three equivalent Co(2)O6 octahedra, and edges with four equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form CoO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, corners with two equivalent Co(4)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, edges with three equivalent Co(3)O6 octahedra, and edges with three equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the third Co site, Co(3) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with three equivalent Co(2)O6 octahedra, and edges with three equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fourth Co site, Co(4) 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 Li(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Co(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with three equivalent Co(2)O6 octahedra, edges with three equivalent Co(3)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Co(2), one Co(3), one Co(4), and two equivalent Co(1) atoms to form OLiCo5 octahedra that share  a cornercorner with one O(1)LiCo5 octahedra,  a cornercorner with one O(4)LiCo5 octahedra, corners with two equivalent O(3)Co6 octahedra, corners with two equivalent O(2)LiCo5 octahedra,  an edgeedge with one O(1)LiCo5 octahedra, edges with two equivalent O(5)Co6 octahedra, edges with three equivalent O(3)Co6 octahedra, edges with three equivalent O(2)LiCo5 octahedra, and edges with three equivalent O(4)LiCo5 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second O site, O(2) is bonded to one Li(1), one Co(1), one Co(2), one Co(4), and two equivalent Co(3) atoms to form OLiCo5 octahedra that share  a cornercorner with one O(3)Co6 octahedra,  a cornercorner with one O(5)Co6 octahedra,  a cornercorner with one O(2)LiCo5 octahedra,  a cornercorner with one O(4)LiCo5 octahedra, corners with two equivalent O(1)LiCo5 octahedra,  an edgeedge with one O(5)Co6 octahedra,  an edgeedge with one O(2)LiCo5 octahedra, edges with three equivalent O(3)Co6 octahedra, edges with three equivalent O(1)LiCo5 octahedra, and edges with four equivalent O(4)LiCo5 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the third O site, O(3) is bonded to one Co(2), one Co(3), two equivalent Co(1), and two equivalent Co(4) atoms to form OCo6 octahedra that share  a cornercorner with one O(5)Co6 octahedra,  a cornercorner with one O(2)LiCo5 octahedra, corners with two equivalent O(1)LiCo5 octahedra, corners with two equivalent O(4)LiCo5 octahedra, edges with two equivalent O(3)Co6 octahedra, edges with two equivalent O(5)Co6 octahedra, edges with two equivalent O(4)LiCo5 octahedra, edges with three equivalent O(1)LiCo5 octahedra, and edges with three equivalent O(2)LiCo5 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fourth O site, O(4) is bonded to one Li(1), one Co(4), two equivalent Co(2), and two equivalent Co(3) atoms to form OLiCo5 octahedra that share  a cornercorner with one O(5)Co6 octahedra,  a cornercorner with one O(1)LiCo5 octahedra,  a cornercorner with one O(2)LiCo5 octahedra,  a cornercorner with one O(4)LiCo5 octahedra, corners with two equivalent O(3)Co6 octahedra,  an edgeedge with one O(5)Co6 octahedra, edges with two equivalent O(3)Co6 octahedra, edges with two equivalent O(4)LiCo5 octahedra, edges with three equivalent O(1)LiCo5 octahedra, and edges with four equivalent O(2)LiCo5 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fifth O site, O(5) is bonded to two equivalent Co(1), two equivalent Co(2), and two equivalent Co(4) atoms to form OCo6 octahedra that share corners with two equivalent O(3)Co6 octahedra, corners with two equivalent O(2)LiCo5 octahedra, corners with two equivalent O(4)LiCo5 octahedra, edges with two equivalent O(2)LiCo5 octahedra, edges with two equivalent O(4)LiCo5 octahedra, edges with four equivalent O(3)Co6 octahedra, and edges with four equivalent O(1)LiCo5 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCo8O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.215
_cell_length_b   5.216
_cell_length_c   6.714
_cell_angle_alpha   75.152
_cell_angle_beta   83.061
_cell_angle_gamma   80.761
_symmetry_Int_Tables_number   1
_cell_volume   173.621
_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  0.222  0.110  0.557  1.0
  Co  Co2  1  0.109  0.555  0.781  1.0
  Co  Co3  1  0.440  0.221  0.108  1.0
  Co  Co4  1  0.334  0.673  0.328  1.0
  Co  Co5  1  0.560  0.779  0.892  1.0
  Co  Co6  1  0.666  0.327  0.672  1.0
  Co  Co7  1  0.778  0.890  0.443  1.0
  Co  Co8  1  0.891  0.445  0.219  1.0
  O  O9  1  0.112  0.059  0.284  1.0
  O  O10  1  0.339  0.167  0.830  1.0
  O  O11  1  0.444  0.720  0.612  1.0
  O  O12  1  0.226  0.603  0.056  1.0
  O  O13  1  0.556  0.280  0.388  1.0
  O  O14  1  0.774  0.397  0.944  1.0
  O  O15  1  0.661  0.833  0.170  1.0
  O  O16  1  0.000  0.500  0.500  1.0
  O  O17  1  0.888  0.941  0.716  1.0
[/CIF]
.
The structure described by LiCo8O9 is Caswellsilverite-like structured and crystallizes in the triclinic P-1 space group. Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, corners with two equivalent Co(4)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, edges with four equivalent Co(2)O6 octahedra, and edges with four equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Co(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with three equivalent Co(2)O6 octahedra, and edges with four equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form CoO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, corners with two equivalent Co(4)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, edges with three equivalent Co(3)O6 octahedra, and edges with three equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the third Co site, Co(3) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with three equivalent Co(2)O6 octahedra, and edges with three equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fourth Co site, Co(4) 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 Li(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Co(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, edges with three equivalent Co(2)O6 octahedra, edges with three equivalent Co(3)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Co(2), one Co(3), one Co(4), and two equivalent Co(1) atoms to form OLiCo5 octahedra that share  a cornercorner with one O(1)LiCo5 octahedra,  a cornercorner with one O(4)LiCo5 octahedra, corners with two equivalent O(3)Co6 octahedra, corners with two equivalent O(2)LiCo5 octahedra,  an edgeedge with one O(1)LiCo5 octahedra, edges with two equivalent O(5)Co6 octahedra, edges with three equivalent O(3)Co6 octahedra, edges with three equivalent O(2)LiCo5 octahedra, and edges with three equivalent O(4)LiCo5 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second O site, O(2) is bonded to one Li(1), one Co(1), one Co(2), one Co(4), and two equivalent Co(3) atoms to form OLiCo5 octahedra that share  a cornercorner with one O(3)Co6 octahedra,  a cornercorner with one O(5)Co6 octahedra,  a cornercorner with one O(2)LiCo5 octahedra,  a cornercorner with one O(4)LiCo5 octahedra, corners with two equivalent O(1)LiCo5 octahedra,  an edgeedge with one O(5)Co6 octahedra,  an edgeedge with one O(2)LiCo5 octahedra, edges with three equivalent O(3)Co6 octahedra, edges with three equivalent O(1)LiCo5 octahedra, and edges with four equivalent O(4)LiCo5 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the third O site, O(3) is bonded to one Co(2), one Co(3), two equivalent Co(1), and two equivalent Co(4) atoms to form OCo6 octahedra that share  a cornercorner with one O(5)Co6 octahedra,  a cornercorner with one O(2)LiCo5 octahedra, corners with two equivalent O(1)LiCo5 octahedra, corners with two equivalent O(4)LiCo5 octahedra, edges with two equivalent O(3)Co6 octahedra, edges with two equivalent O(5)Co6 octahedra, edges with two equivalent O(4)LiCo5 octahedra, edges with three equivalent O(1)LiCo5 octahedra, and edges with three equivalent O(2)LiCo5 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fourth O site, O(4) is bonded to one Li(1), one Co(4), two equivalent Co(2), and two equivalent Co(3) atoms to form OLiCo5 octahedra that share  a cornercorner with one O(5)Co6 octahedra,  a cornercorner with one O(1)LiCo5 octahedra,  a cornercorner with one O(2)LiCo5 octahedra,  a cornercorner with one O(4)LiCo5 octahedra, corners with two equivalent O(3)Co6 octahedra,  an edgeedge with one O(5)Co6 octahedra, edges with two equivalent O(3)Co6 octahedra, edges with two equivalent O(4)LiCo5 octahedra, edges with three equivalent O(1)LiCo5 octahedra, and edges with four equivalent O(2)LiCo5 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fifth O site, O(5) is bonded to two equivalent Co(1), two equivalent Co(2), and two equivalent Co(4) atoms to form OCo6 octahedra that share corners with two equivalent O(3)Co6 octahedra, corners with two equivalent O(2)LiCo5 octahedra, corners with two equivalent O(4)LiCo5 octahedra, edges with two equivalent O(2)LiCo5 octahedra, edges with two equivalent O(4)LiCo5 octahedra, edges with four equivalent O(3)Co6 octahedra, and edges with four equivalent O(1)LiCo5 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCo8O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.215
_cell_length_b   5.216
_cell_length_c   6.714
_cell_angle_alpha   75.152
_cell_angle_beta   83.061
_cell_angle_gamma   80.761
_symmetry_Int_Tables_number   1
_cell_volume   173.621
_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  0.222  0.110  0.557  1.0
  Co  Co2  1  0.109  0.555  0.781  1.0
  Co  Co3  1  0.440  0.221  0.108  1.0
  Co  Co4  1  0.334  0.673  0.328  1.0
  Co  Co5  1  0.560  0.779  0.892  1.0
  Co  Co6  1  0.666  0.327  0.672  1.0
  Co  Co7  1  0.778  0.890  0.443  1.0
  Co  Co8  1  0.891  0.445  0.219  1.0
  O  O9  1  0.112  0.059  0.284  1.0
  O  O10  1  0.339  0.167  0.830  1.0
  O  O11  1  0.444  0.720  0.612  1.0
  O  O12  1  0.226  0.603  0.056  1.0
  O  O13  1  0.556  0.280  0.388  1.0
  O  O14  1  0.774  0.397  0.944  1.0
  O  O15  1  0.661  0.833  0.170  1.0
  O  O16  1  0.000  0.500  0.500  1.0
  O  O17  1  0.888  0.941  0.716  1.0
[/CIF]
.