The material structure described by Li8(CoO2)5 crystallizes in the monoclinic Cm space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(4), and two equivalent O(9) atoms to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the second Li site, Li(2) is bonded to one O(8), one O(9), and two equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the third Li site, Li(3) is bonded to one O(1), one O(9), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing LiO4 trigonal pyramids. In the fourth Li site, Li(4) is bonded to one O(1), one O(5), and two equivalent O(6) atoms to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the fifth Li site, Li(5) is bonded to one O(10), one O(6), and two equivalent O(5) atoms to form a mixture of distorted corner and edge-sharing LiO4 tetrahedra. In the sixth Li site, Li(6) is bonded to one O(10), one O(2), and two equivalent O(7) atoms to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the seventh Li site, Li(7) is bonded to one O(2), one O(3), and two equivalent O(8) atoms to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the eighth Li site, Li(8) is bonded to one O(5), one O(7), and two equivalent O(10) atoms to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. There are five inequivalent Co sites. In the first Co site, Co(1) is bonded in a square co-planar geometry to one O(10), one O(2), one O(5), and one O(7) atom. In the second Co site, Co(2) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), one O(7), and one O(8) atom. In the third Co site, Co(3) is bonded in a rectangular see-saw-like geometry to one O(3), one O(4), one O(8), and one O(9) atom. In the fourth Co site, Co(4) is bonded in a rectangular see-saw-like geometry to one O(1), one O(10), one O(5), and one O(6) atom. In the fifth Co site, Co(5) is bonded in a square co-planar geometry to one O(1), one O(4), one O(6), and one O(9) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Li(4), one Co(4), and one Co(5) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(6), one Li(7), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded to one Li(1), one Li(7), two equivalent Li(2), one Co(2), and one Co(3) atom to form OLi4Co2 octahedra that share  a cornercorner with one O(9)Li4Co2 octahedra, corners with two equivalent O(3)Li4Co2 octahedra,  a cornercorner with one O(7)Li3Co2 trigonal bipyramid, edges with two equivalent O(9)Li4Co2 octahedra,  an edgeedge with one O(4)Li3Co2 trigonal bipyramid, and edges with three equivalent O(8)Li3Co2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 3-46°. In the fourth O site, O(4) is bonded to one Li(1), two equivalent Li(3), one Co(3), and one Co(5) atom to form OLi3Co2 trigonal bipyramids that share  a cornercorner with one O(6)Li3Co2 trigonal bipyramid,  a cornercorner with one O(8)Li3Co2 trigonal bipyramid, corners with two equivalent O(4)Li3Co2 trigonal bipyramids,  an edgeedge with one O(3)Li4Co2 octahedra, and edges with three equivalent O(9)Li4Co2 octahedra. In the fifth O site, O(5) is bonded to one Li(4), one Li(8), two equivalent Li(5), one Co(1), and one Co(4) atom to form distorted OLi4Co2 octahedra that share corners with two equivalent O(5)Li4Co2 octahedra,  a cornercorner with one O(6)Li3Co2 trigonal bipyramid, edges with three equivalent O(10)Li4Co2 octahedra,  an edgeedge with one O(7)Li3Co2 trigonal bipyramid, and edges with two equivalent O(6)Li3Co2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 45°. In the sixth O site, O(6) is bonded to one Li(5), two equivalent Li(4), one Co(4), and one Co(5) atom to form OLi3Co2 trigonal bipyramids that share  a cornercorner with one O(5)Li4Co2 octahedra,  a cornercorner with one O(9)Li4Co2 octahedra,  a cornercorner with one O(4)Li3Co2 trigonal bipyramid, corners with two equivalent O(6)Li3Co2 trigonal bipyramids,  an edgeedge with one O(10)Li4Co2 octahedra, and edges with two equivalent O(5)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the seventh O site, O(7) is bonded to one Li(8), two equivalent Li(6), one Co(1), and one Co(2) atom to form OLi3Co2 trigonal bipyramids that share  a cornercorner with one O(10)Li4Co2 octahedra,  a cornercorner with one O(3)Li4Co2 octahedra,  a cornercorner with one O(8)Li3Co2 trigonal bipyramid, corners with two equivalent O(7)Li3Co2 trigonal bipyramids,  an edgeedge with one O(5)Li4Co2 octahedra, and edges with two equivalent O(10)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the eighth O site, O(8) is bonded to one Li(2), two equivalent Li(7), one Co(2), and one Co(3) atom to form OLi3Co2 trigonal bipyramids that share  a cornercorner with one O(4)Li3Co2 trigonal bipyramid,  a cornercorner with one O(7)Li3Co2 trigonal bipyramid, corners with two equivalent O(8)Li3Co2 trigonal bipyramids,  an edgeedge with one O(9)Li4Co2 octahedra, and edges with three equivalent O(3)Li4Co2 octahedra. In the ninth O site, O(9) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Co(3), and one Co(5) atom to form distorted OLi4Co2 octahedra that share  a cornercorner with one O(3)Li4Co2 octahedra, corners with two equivalent O(9)Li4Co2 octahedra,  a cornercorner with one O(6)Li3Co2 trigonal bipyramid, edges with two equivalent O(3)Li4Co2 octahedra,  an edgeedge with one O(8)Li3Co2 trigonal bipyramid, and edges with three equivalent O(4)Li3Co2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 3-44°. In the tenth O site, O(10) is bonded to one Li(5), one Li(6), two equivalent Li(8), one Co(1), and one Co(4) atom to form distorted OLi4Co2 octahedra that share corners with two equivalent O(10)Li4Co2 octahedra,  a cornercorner with one O(7)Li3Co2 trigonal bipyramid, edges with three equivalent O(5)Li4Co2 octahedra,  an edgeedge with one O(6)Li3Co2 trigonal bipyramid, and edges with two equivalent O(7)Li3Co2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 45°. is represented by the CIF card [CIF]
data_Li8(CoO2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.365
_cell_length_b   5.365
_cell_length_c   14.335
_cell_angle_alpha   74.678
_cell_angle_beta   74.678
_cell_angle_gamma   39.170
_symmetry_Int_Tables_number   1
_cell_volume   250.193
_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  0.788  0.788  0.342  1.0
  Li  Li1  1  0.214  0.214  0.463  1.0
  Li  Li2  1  0.228  0.228  0.243  1.0
  Li  Li3  1  0.223  0.223  0.066  1.0
  Li  Li4  1  0.789  0.789  0.947  1.0
  Li  Li5  1  0.778  0.778  0.730  1.0
  Li  Li6  1  0.778  0.778  0.558  1.0
  Li  Li7  1  0.212  0.212  0.853  1.0
  Co  Co8  1  0.500  0.500  0.801  1.0
  Co  Co9  1  0.494  0.494  0.605  1.0
  Co  Co10  1  0.502  0.502  0.399  1.0
  Co  Co11  1  0.502  0.502  0.002  1.0
  Co  Co12  1  0.508  0.508  0.198  1.0
  O  O13  1  0.376  0.376  0.121  1.0
  O  O14  1  0.628  0.628  0.673  1.0
  O  O15  1  0.636  0.636  0.475  1.0
  O  O16  1  0.639  0.639  0.277  1.0
  O  O17  1  0.366  0.366  0.934  1.0
  O  O18  1  0.637  0.637  0.066  1.0
  O  O19  1  0.356  0.356  0.731  1.0
  O  O20  1  0.370  0.370  0.524  1.0
  O  O21  1  0.363  0.363  0.330  1.0
  O  O22  1  0.637  0.637  0.880  1.0
[/CIF]
.
The material structure described by Li8(CoO2)5 crystallizes in the monoclinic Cm space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(4), and two equivalent O(9) atoms to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the second Li site, Li(2) is bonded to one O(8), one O(9), and two equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the third Li site, Li(3) is bonded to one O(1), one O(9), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing LiO4 trigonal pyramids. In the fourth Li site, Li(4) is bonded to one O(1), one O(5), and two equivalent O(6) atoms to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the fifth Li site, Li(5) is bonded to one O(10), one O(6), and two equivalent O(5) atoms to form a mixture of distorted corner and edge-sharing LiO4 tetrahedra. In the sixth Li site, Li(6) is bonded to one O(10), one O(2), and two equivalent O(7) atoms to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the seventh Li site, Li(7) is bonded to one O(2), one O(3), and two equivalent O(8) atoms to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the eighth Li site, Li(8) is bonded to one O(5), one O(7), and two equivalent O(10) atoms to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. There are five inequivalent Co sites. In the first Co site, Co(1) is bonded in a square co-planar geometry to one O(10), one O(2), one O(5), and one O(7) atom. In the second Co site, Co(2) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), one O(7), and one O(8) atom. In the third Co site, Co(3) is bonded in a rectangular see-saw-like geometry to one O(3), one O(4), one O(8), and one O(9) atom. In the fourth Co site, Co(4) is bonded in a rectangular see-saw-like geometry to one O(1), one O(10), one O(5), and one O(6) atom. In the fifth Co site, Co(5) is bonded in a square co-planar geometry to one O(1), one O(4), one O(6), and one O(9) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Li(4), one Co(4), and one Co(5) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(6), one Li(7), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded to one Li(1), one Li(7), two equivalent Li(2), one Co(2), and one Co(3) atom to form OLi4Co2 octahedra that share  a cornercorner with one O(9)Li4Co2 octahedra, corners with two equivalent O(3)Li4Co2 octahedra,  a cornercorner with one O(7)Li3Co2 trigonal bipyramid, edges with two equivalent O(9)Li4Co2 octahedra,  an edgeedge with one O(4)Li3Co2 trigonal bipyramid, and edges with three equivalent O(8)Li3Co2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 3-46°. In the fourth O site, O(4) is bonded to one Li(1), two equivalent Li(3), one Co(3), and one Co(5) atom to form OLi3Co2 trigonal bipyramids that share  a cornercorner with one O(6)Li3Co2 trigonal bipyramid,  a cornercorner with one O(8)Li3Co2 trigonal bipyramid, corners with two equivalent O(4)Li3Co2 trigonal bipyramids,  an edgeedge with one O(3)Li4Co2 octahedra, and edges with three equivalent O(9)Li4Co2 octahedra. In the fifth O site, O(5) is bonded to one Li(4), one Li(8), two equivalent Li(5), one Co(1), and one Co(4) atom to form distorted OLi4Co2 octahedra that share corners with two equivalent O(5)Li4Co2 octahedra,  a cornercorner with one O(6)Li3Co2 trigonal bipyramid, edges with three equivalent O(10)Li4Co2 octahedra,  an edgeedge with one O(7)Li3Co2 trigonal bipyramid, and edges with two equivalent O(6)Li3Co2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 45°. In the sixth O site, O(6) is bonded to one Li(5), two equivalent Li(4), one Co(4), and one Co(5) atom to form OLi3Co2 trigonal bipyramids that share  a cornercorner with one O(5)Li4Co2 octahedra,  a cornercorner with one O(9)Li4Co2 octahedra,  a cornercorner with one O(4)Li3Co2 trigonal bipyramid, corners with two equivalent O(6)Li3Co2 trigonal bipyramids,  an edgeedge with one O(10)Li4Co2 octahedra, and edges with two equivalent O(5)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the seventh O site, O(7) is bonded to one Li(8), two equivalent Li(6), one Co(1), and one Co(2) atom to form OLi3Co2 trigonal bipyramids that share  a cornercorner with one O(10)Li4Co2 octahedra,  a cornercorner with one O(3)Li4Co2 octahedra,  a cornercorner with one O(8)Li3Co2 trigonal bipyramid, corners with two equivalent O(7)Li3Co2 trigonal bipyramids,  an edgeedge with one O(5)Li4Co2 octahedra, and edges with two equivalent O(10)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the eighth O site, O(8) is bonded to one Li(2), two equivalent Li(7), one Co(2), and one Co(3) atom to form OLi3Co2 trigonal bipyramids that share  a cornercorner with one O(4)Li3Co2 trigonal bipyramid,  a cornercorner with one O(7)Li3Co2 trigonal bipyramid, corners with two equivalent O(8)Li3Co2 trigonal bipyramids,  an edgeedge with one O(9)Li4Co2 octahedra, and edges with three equivalent O(3)Li4Co2 octahedra. In the ninth O site, O(9) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Co(3), and one Co(5) atom to form distorted OLi4Co2 octahedra that share  a cornercorner with one O(3)Li4Co2 octahedra, corners with two equivalent O(9)Li4Co2 octahedra,  a cornercorner with one O(6)Li3Co2 trigonal bipyramid, edges with two equivalent O(3)Li4Co2 octahedra,  an edgeedge with one O(8)Li3Co2 trigonal bipyramid, and edges with three equivalent O(4)Li3Co2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 3-44°. In the tenth O site, O(10) is bonded to one Li(5), one Li(6), two equivalent Li(8), one Co(1), and one Co(4) atom to form distorted OLi4Co2 octahedra that share corners with two equivalent O(10)Li4Co2 octahedra,  a cornercorner with one O(7)Li3Co2 trigonal bipyramid, edges with three equivalent O(5)Li4Co2 octahedra,  an edgeedge with one O(6)Li3Co2 trigonal bipyramid, and edges with two equivalent O(7)Li3Co2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 45°. is represented by the CIF card [CIF]
data_Li8(CoO2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.365
_cell_length_b   5.365
_cell_length_c   14.335
_cell_angle_alpha   74.678
_cell_angle_beta   74.678
_cell_angle_gamma   39.170
_symmetry_Int_Tables_number   1
_cell_volume   250.193
_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  0.788  0.788  0.342  1.0
  Li  Li1  1  0.214  0.214  0.463  1.0
  Li  Li2  1  0.228  0.228  0.243  1.0
  Li  Li3  1  0.223  0.223  0.066  1.0
  Li  Li4  1  0.789  0.789  0.947  1.0
  Li  Li5  1  0.778  0.778  0.730  1.0
  Li  Li6  1  0.778  0.778  0.558  1.0
  Li  Li7  1  0.212  0.212  0.853  1.0
  Co  Co8  1  0.500  0.500  0.801  1.0
  Co  Co9  1  0.494  0.494  0.605  1.0
  Co  Co10  1  0.502  0.502  0.399  1.0
  Co  Co11  1  0.502  0.502  0.002  1.0
  Co  Co12  1  0.508  0.508  0.198  1.0
  O  O13  1  0.376  0.376  0.121  1.0
  O  O14  1  0.628  0.628  0.673  1.0
  O  O15  1  0.636  0.636  0.475  1.0
  O  O16  1  0.639  0.639  0.277  1.0
  O  O17  1  0.366  0.366  0.934  1.0
  O  O18  1  0.637  0.637  0.066  1.0
  O  O19  1  0.356  0.356  0.731  1.0
  O  O20  1  0.370  0.370  0.524  1.0
  O  O21  1  0.363  0.363  0.330  1.0
  O  O22  1  0.637  0.637  0.880  1.0
[/CIF]
.