The material structure described by Li(CoO2)4 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra,  an edgeedge with one Co(7)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. There are seven inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with two equivalent Co(5)O6 octahedra, and edges with two equivalent Co(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the second Co site, Co(2) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-13°. In the third Co site, Co(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form CoO6 octahedra that share  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra,  an edgeedge with one Co(7)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. In the fourth Co site, Co(4) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form CoO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. In the fifth Co site, Co(5) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form CoO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(7)O6 octahedra. In the sixth Co site, Co(6) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(8) atoms to form CoO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. In the seventh Co site, Co(7) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(7) atoms to form CoO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Co(3), one Co(4), and one Co(6) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Co(3), one Co(5), and one Co(7) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(3), and one Co(5) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(2), one Co(3), and one Co(4) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(5), and one Co(7) atom. In the sixth O site, O(6) is bonded in a see-saw-like geometry to one Li(1), one Co(2), one Co(4), and one Co(6) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(3), and one Co(7) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(2), one Co(3), and one Co(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li(CoO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.712
_cell_length_b   5.707
_cell_length_c   9.907
_cell_angle_alpha   90.031
_cell_angle_beta   73.056
_cell_angle_gamma   60.275
_symmetry_Int_Tables_number   1
_cell_volume   264.146
_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  0.998  0.251  0.250  1.0
  Li  Li1  1  0.002  0.749  0.750  1.0
  Co  Co2  1  0.500  0.000  0.500  1.0
  Co  Co3  1  0.500  0.500  0.000  1.0
  Co  Co4  1  0.502  0.758  0.253  1.0
  Co  Co5  1  0.498  0.242  0.747  1.0
  Co  Co6  1  0.000  0.500  0.000  1.0
  Co  Co7  1  0.000  0.000  0.500  1.0
  Co  Co8  1  0.500  0.000  0.000  1.0
  Co  Co9  1  0.500  0.500  0.500  1.0
  O  O10  1  0.736  0.855  0.119  1.0
  O  O11  1  0.732  0.345  0.619  1.0
  O  O12  1  0.268  0.655  0.381  1.0
  O  O13  1  0.264  0.145  0.881  1.0
  O  O14  1  0.258  0.097  0.383  1.0
  O  O15  1  0.256  0.584  0.875  1.0
  O  O16  1  0.739  0.128  0.398  1.0
  O  O17  1  0.749  0.644  0.895  1.0
  O  O18  1  0.707  0.651  0.382  1.0
  O  O19  1  0.709  0.130  0.876  1.0
  O  O20  1  0.291  0.870  0.124  1.0
  O  O21  1  0.293  0.349  0.618  1.0
  O  O22  1  0.251  0.356  0.105  1.0
  O  O23  1  0.261  0.872  0.602  1.0
  O  O24  1  0.744  0.416  0.125  1.0
  O  O25  1  0.742  0.903  0.617  1.0
[/CIF]
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The material structure described by Li(CoO2)4 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra,  an edgeedge with one Co(7)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. There are seven inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with two equivalent Co(5)O6 octahedra, and edges with two equivalent Co(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the second Co site, Co(2) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-13°. In the third Co site, Co(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form CoO6 octahedra that share  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra,  an edgeedge with one Co(7)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. In the fourth Co site, Co(4) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form CoO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. In the fifth Co site, Co(5) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form CoO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(7)O6 octahedra. In the sixth Co site, Co(6) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(8) atoms to form CoO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. In the seventh Co site, Co(7) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(7) atoms to form CoO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Co(3), one Co(4), and one Co(6) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Co(3), one Co(5), and one Co(7) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(3), and one Co(5) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(2), one Co(3), and one Co(4) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(5), and one Co(7) atom. In the sixth O site, O(6) is bonded in a see-saw-like geometry to one Li(1), one Co(2), one Co(4), and one Co(6) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(3), and one Co(7) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(2), one Co(3), and one Co(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li(CoO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.712
_cell_length_b   5.707
_cell_length_c   9.907
_cell_angle_alpha   90.031
_cell_angle_beta   73.056
_cell_angle_gamma   60.275
_symmetry_Int_Tables_number   1
_cell_volume   264.146
_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  0.998  0.251  0.250  1.0
  Li  Li1  1  0.002  0.749  0.750  1.0
  Co  Co2  1  0.500  0.000  0.500  1.0
  Co  Co3  1  0.500  0.500  0.000  1.0
  Co  Co4  1  0.502  0.758  0.253  1.0
  Co  Co5  1  0.498  0.242  0.747  1.0
  Co  Co6  1  0.000  0.500  0.000  1.0
  Co  Co7  1  0.000  0.000  0.500  1.0
  Co  Co8  1  0.500  0.000  0.000  1.0
  Co  Co9  1  0.500  0.500  0.500  1.0
  O  O10  1  0.736  0.855  0.119  1.0
  O  O11  1  0.732  0.345  0.619  1.0
  O  O12  1  0.268  0.655  0.381  1.0
  O  O13  1  0.264  0.145  0.881  1.0
  O  O14  1  0.258  0.097  0.383  1.0
  O  O15  1  0.256  0.584  0.875  1.0
  O  O16  1  0.739  0.128  0.398  1.0
  O  O17  1  0.749  0.644  0.895  1.0
  O  O18  1  0.707  0.651  0.382  1.0
  O  O19  1  0.709  0.130  0.876  1.0
  O  O20  1  0.291  0.870  0.124  1.0
  O  O21  1  0.293  0.349  0.618  1.0
  O  O22  1  0.251  0.356  0.105  1.0
  O  O23  1  0.261  0.872  0.602  1.0
  O  O24  1  0.744  0.416  0.125  1.0
  O  O25  1  0.742  0.903  0.617  1.0
[/CIF]
.