The material structure described by Lix0CoO2 crystallizes in the monoclinic Cm space group. There are twelve inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form CoO6 octahedra that share  a cornercorner with one Co(12)O4 tetrahedra, corners with two equivalent Co(5)O4 tetrahedra,  an edgeedge with one Co(11)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. In the second Co site, Co(2) is bonded to one O(4), one O(9), two equivalent O(5), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with three equivalent Co(5)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. In the third Co site, Co(3) is bonded to one O(15), one O(7), and two equivalent O(10) atoms to form corner-sharing CoO4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-57°. In the fourth Co site, Co(4) is bonded to one O(11), one O(12), one O(14), one O(5), one O(7), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Co(3)O4 tetrahedra,  a cornercorner with one Co(5)O4 tetrahedra, corners with two equivalent Co(8)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. In the fifth Co site, Co(5) is bonded to one O(14), one O(4), and two equivalent O(6) atoms to form corner-sharing CoO4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-59°. In the sixth Co site, Co(6) is bonded to one O(13), one O(21), and two equivalent O(17) atoms to form corner-sharing CoO4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-56°. In the seventh Co site, Co(7) is bonded to one O(10), one O(13), one O(15), one O(16), one O(18), and one O(20) atom to form CoO6 octahedra that share  a cornercorner with one Co(6)O4 tetrahedra,  a cornercorner with one Co(8)O4 tetrahedra, corners with two equivalent Co(10)O4 tetrahedra, corners with two equivalent Co(3)O4 tetrahedra, and edges with two equivalent Co(7)O6 octahedra. In the eighth Co site, Co(8) is bonded to one O(11), one O(20), and two equivalent O(12) atoms to form corner-sharing CoO4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-56°. In the ninth Co site, Co(9) is bonded to one O(17), one O(19), one O(21), one O(22), one O(23), and one O(24) atom to form CoO6 octahedra that share  a cornercorner with one Co(10)O4 tetrahedra, corners with two equivalent Co(12)O4 tetrahedra, corners with two equivalent Co(6)O4 tetrahedra,  an edgeedge with one Co(11)O6 octahedra, and edges with two equivalent Co(9)O6 octahedra. In the tenth Co site, Co(10) is bonded to one O(16), one O(24), and two equivalent O(18) atoms to form corner-sharing CoO4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-57°. In the eleventh Co site, Co(11) is bonded to one O(22), one O(3), two equivalent O(1), and two equivalent O(23) atoms to form CoO6 octahedra that share corners with three equivalent Co(12)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(9)O6 octahedra. In the twelfth Co site, Co(12) is bonded to one O(22), one O(8), and two equivalent O(23) atoms to form corner-sharing CoO4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-60°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Co(1) and one Co(11) atom. In the second O site, O(2) is bonded in a water-like geometry to two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Co(11) and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal pyramidal geometry to one Co(2), one Co(5), and two equivalent Co(1) atoms. In the fifth O site, O(5) is bonded in a water-like geometry to one Co(2) and one Co(4) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(5) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Co(3) and two equivalent Co(4) atoms. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Co(12) and two equivalent Co(1) atoms. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Co(2) and two equivalent Co(4) atoms. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Co(3) and one Co(7) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Co(8) and two equivalent Co(4) atoms. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Co(4) and one Co(8) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Co(6) and two equivalent Co(7) atoms. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Co(5) and two equivalent Co(4) atoms. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one Co(3) and two equivalent Co(7) atoms. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Co(10) and two equivalent Co(7) atoms. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one Co(6) and one Co(9) atom. In the eighteenth O site, O(18) is bonded in a bent 120 degrees geometry to one Co(10) and one Co(7) atom. In the nineteenth O site, O(19) is bonded in a water-like geometry to two equivalent Co(9) atoms. In the twentieth O site, O(20) is bonded in a trigonal planar geometry to one Co(8) and two equivalent Co(7) atoms. In the twenty-first O site, O(21) is bonded in a distorted trigonal planar geometry to one Co(6) and two equivalent Co(9) atoms. In the twenty-second O site, O(22) is bonded in a distorted trigonal pyramidal geometry to one Co(11), one Co(12), and two equivalent Co(9) atoms. In the twenty-third O site, O(23) is bonded in a trigonal planar geometry to one Co(11), one Co(12), and one Co(9) atom. In the twenty-fourth O site, O(24) is bonded in a trigonal planar geometry to one Co(10) and two equivalent Co(9) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CoO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.695
_cell_length_b   5.669
_cell_length_c   22.585
_cell_angle_alpha   59.865
_cell_angle_beta   60.289
_cell_angle_gamma   60.154
_symmetry_Int_Tables_number   1
_cell_volume   516.773
_cell_formula_units_Z   16
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
  Co  Co0  1  0.496  0.495  0.125  1.0
  Co  Co1  1  0.498  0.493  0.254  1.0
  Co  Co2  1  0.496  0.010  0.125  1.0
  Co  Co3  1  0.133  0.114  0.535  1.0
  Co  Co4  1  0.500  0.495  0.377  1.0
  Co  Co5  1  0.868  0.874  0.221  1.0
  Co  Co6  1  0.131  0.120  0.782  1.0
  Co  Co7  1  0.500  0.996  0.377  1.0
  Co  Co8  1  0.504  0.498  0.625  1.0
  Co  Co9  1  0.869  0.881  0.467  1.0
  Co  Co10  1  0.504  1.000  0.625  1.0
  Co  Co11  1  0.498  0.012  0.872  1.0
  Co  Co12  1  0.498  0.501  0.872  1.0
  Co  Co13  1  0.871  0.883  0.716  1.0
  Co  Co14  1  0.496  0.497  0.002  1.0
  Co  Co15  1  0.861  0.878  0.971  1.0
  O  O16  1  0.295  0.252  0.063  1.0
  O  O17  1  0.290  0.253  0.176  1.0
  O  O18  1  0.296  0.703  0.063  1.0
  O  O19  1  0.714  0.261  0.066  1.0
  O  O20  1  0.277  0.738  0.186  1.0
  O  O21  1  0.295  0.249  0.315  1.0
  O  O22  1  0.704  0.273  0.191  1.0
  O  O23  1  0.276  0.242  0.435  1.0
  O  O24  1  0.295  0.695  0.315  1.0
  O  O25  1  0.713  0.754  0.070  1.0
  O  O26  1  0.706  0.258  0.319  1.0
  O  O27  1  0.705  0.757  0.191  1.0
  O  O28  1  0.271  0.221  0.568  1.0
  O  O29  1  0.277  0.757  0.427  1.0
  O  O30  1  0.736  0.260  0.433  1.0
  O  O31  1  0.283  0.250  0.679  1.0
  O  O32  1  0.271  0.737  0.568  1.0
  O  O33  1  0.718  0.750  0.321  1.0
  O  O34  1  0.724  0.251  0.568  1.0
  O  O35  1  0.735  0.774  0.433  1.0
  O  O36  1  0.281  0.749  0.680  1.0
  O  O37  1  0.266  0.230  0.815  1.0
  O  O38  1  0.736  0.261  0.682  1.0
  O  O39  1  0.286  0.265  0.921  1.0
  O  O40  1  0.266  0.745  0.815  1.0
  O  O41  1  0.723  0.751  0.569  1.0
  O  O42  1  0.732  0.249  0.818  1.0
  O  O43  1  0.736  0.778  0.681  1.0
  O  O44  1  0.278  0.743  0.934  1.0
  O  O45  1  0.702  0.278  0.938  1.0
  O  O46  1  0.715  0.759  0.817  1.0
  O  O47  1  0.702  0.769  0.938  1.0
[/CIF]
.
The material structure described by Lix0CoO2 crystallizes in the monoclinic Cm space group. There are twelve inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form CoO6 octahedra that share  a cornercorner with one Co(12)O4 tetrahedra, corners with two equivalent Co(5)O4 tetrahedra,  an edgeedge with one Co(11)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. In the second Co site, Co(2) is bonded to one O(4), one O(9), two equivalent O(5), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with three equivalent Co(5)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. In the third Co site, Co(3) is bonded to one O(15), one O(7), and two equivalent O(10) atoms to form corner-sharing CoO4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-57°. In the fourth Co site, Co(4) is bonded to one O(11), one O(12), one O(14), one O(5), one O(7), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Co(3)O4 tetrahedra,  a cornercorner with one Co(5)O4 tetrahedra, corners with two equivalent Co(8)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. In the fifth Co site, Co(5) is bonded to one O(14), one O(4), and two equivalent O(6) atoms to form corner-sharing CoO4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-59°. In the sixth Co site, Co(6) is bonded to one O(13), one O(21), and two equivalent O(17) atoms to form corner-sharing CoO4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-56°. In the seventh Co site, Co(7) is bonded to one O(10), one O(13), one O(15), one O(16), one O(18), and one O(20) atom to form CoO6 octahedra that share  a cornercorner with one Co(6)O4 tetrahedra,  a cornercorner with one Co(8)O4 tetrahedra, corners with two equivalent Co(10)O4 tetrahedra, corners with two equivalent Co(3)O4 tetrahedra, and edges with two equivalent Co(7)O6 octahedra. In the eighth Co site, Co(8) is bonded to one O(11), one O(20), and two equivalent O(12) atoms to form corner-sharing CoO4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-56°. In the ninth Co site, Co(9) is bonded to one O(17), one O(19), one O(21), one O(22), one O(23), and one O(24) atom to form CoO6 octahedra that share  a cornercorner with one Co(10)O4 tetrahedra, corners with two equivalent Co(12)O4 tetrahedra, corners with two equivalent Co(6)O4 tetrahedra,  an edgeedge with one Co(11)O6 octahedra, and edges with two equivalent Co(9)O6 octahedra. In the tenth Co site, Co(10) is bonded to one O(16), one O(24), and two equivalent O(18) atoms to form corner-sharing CoO4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-57°. In the eleventh Co site, Co(11) is bonded to one O(22), one O(3), two equivalent O(1), and two equivalent O(23) atoms to form CoO6 octahedra that share corners with three equivalent Co(12)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(9)O6 octahedra. In the twelfth Co site, Co(12) is bonded to one O(22), one O(8), and two equivalent O(23) atoms to form corner-sharing CoO4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-60°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Co(1) and one Co(11) atom. In the second O site, O(2) is bonded in a water-like geometry to two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Co(11) and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal pyramidal geometry to one Co(2), one Co(5), and two equivalent Co(1) atoms. In the fifth O site, O(5) is bonded in a water-like geometry to one Co(2) and one Co(4) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(5) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Co(3) and two equivalent Co(4) atoms. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Co(12) and two equivalent Co(1) atoms. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Co(2) and two equivalent Co(4) atoms. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Co(3) and one Co(7) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Co(8) and two equivalent Co(4) atoms. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Co(4) and one Co(8) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Co(6) and two equivalent Co(7) atoms. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Co(5) and two equivalent Co(4) atoms. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one Co(3) and two equivalent Co(7) atoms. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Co(10) and two equivalent Co(7) atoms. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one Co(6) and one Co(9) atom. In the eighteenth O site, O(18) is bonded in a bent 120 degrees geometry to one Co(10) and one Co(7) atom. In the nineteenth O site, O(19) is bonded in a water-like geometry to two equivalent Co(9) atoms. In the twentieth O site, O(20) is bonded in a trigonal planar geometry to one Co(8) and two equivalent Co(7) atoms. In the twenty-first O site, O(21) is bonded in a distorted trigonal planar geometry to one Co(6) and two equivalent Co(9) atoms. In the twenty-second O site, O(22) is bonded in a distorted trigonal pyramidal geometry to one Co(11), one Co(12), and two equivalent Co(9) atoms. In the twenty-third O site, O(23) is bonded in a trigonal planar geometry to one Co(11), one Co(12), and one Co(9) atom. In the twenty-fourth O site, O(24) is bonded in a trigonal planar geometry to one Co(10) and two equivalent Co(9) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CoO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.695
_cell_length_b   5.669
_cell_length_c   22.585
_cell_angle_alpha   59.865
_cell_angle_beta   60.289
_cell_angle_gamma   60.154
_symmetry_Int_Tables_number   1
_cell_volume   516.773
_cell_formula_units_Z   16
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
  Co  Co0  1  0.496  0.495  0.125  1.0
  Co  Co1  1  0.498  0.493  0.254  1.0
  Co  Co2  1  0.496  0.010  0.125  1.0
  Co  Co3  1  0.133  0.114  0.535  1.0
  Co  Co4  1  0.500  0.495  0.377  1.0
  Co  Co5  1  0.868  0.874  0.221  1.0
  Co  Co6  1  0.131  0.120  0.782  1.0
  Co  Co7  1  0.500  0.996  0.377  1.0
  Co  Co8  1  0.504  0.498  0.625  1.0
  Co  Co9  1  0.869  0.881  0.467  1.0
  Co  Co10  1  0.504  1.000  0.625  1.0
  Co  Co11  1  0.498  0.012  0.872  1.0
  Co  Co12  1  0.498  0.501  0.872  1.0
  Co  Co13  1  0.871  0.883  0.716  1.0
  Co  Co14  1  0.496  0.497  0.002  1.0
  Co  Co15  1  0.861  0.878  0.971  1.0
  O  O16  1  0.295  0.252  0.063  1.0
  O  O17  1  0.290  0.253  0.176  1.0
  O  O18  1  0.296  0.703  0.063  1.0
  O  O19  1  0.714  0.261  0.066  1.0
  O  O20  1  0.277  0.738  0.186  1.0
  O  O21  1  0.295  0.249  0.315  1.0
  O  O22  1  0.704  0.273  0.191  1.0
  O  O23  1  0.276  0.242  0.435  1.0
  O  O24  1  0.295  0.695  0.315  1.0
  O  O25  1  0.713  0.754  0.070  1.0
  O  O26  1  0.706  0.258  0.319  1.0
  O  O27  1  0.705  0.757  0.191  1.0
  O  O28  1  0.271  0.221  0.568  1.0
  O  O29  1  0.277  0.757  0.427  1.0
  O  O30  1  0.736  0.260  0.433  1.0
  O  O31  1  0.283  0.250  0.679  1.0
  O  O32  1  0.271  0.737  0.568  1.0
  O  O33  1  0.718  0.750  0.321  1.0
  O  O34  1  0.724  0.251  0.568  1.0
  O  O35  1  0.735  0.774  0.433  1.0
  O  O36  1  0.281  0.749  0.680  1.0
  O  O37  1  0.266  0.230  0.815  1.0
  O  O38  1  0.736  0.261  0.682  1.0
  O  O39  1  0.286  0.265  0.921  1.0
  O  O40  1  0.266  0.745  0.815  1.0
  O  O41  1  0.723  0.751  0.569  1.0
  O  O42  1  0.732  0.249  0.818  1.0
  O  O43  1  0.736  0.778  0.681  1.0
  O  O44  1  0.278  0.743  0.934  1.0
  O  O45  1  0.702  0.278  0.938  1.0
  O  O46  1  0.715  0.759  0.817  1.0
  O  O47  1  0.702  0.769  0.938  1.0
[/CIF]
.