The material structure described by Li7(CoO3)2 crystallizes in the monoclinic C2/c space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra, edges with two equivalent Li(3)O5 trigonal bipyramids, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the second Li site, Li(2) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(3)O5 trigonal bipyramids,  an edgeedge with one Li(1)O4 tetrahedra, edges with two equivalent Li(3)O5 trigonal bipyramids, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the third Li site, Li(3) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Li(4)O4 tetrahedra, edges with two equivalent Li(1)O4 tetrahedra, edges with two equivalent Li(3)O5 trigonal bipyramids, and edges with two equivalent Li(2)O4 trigonal pyramids. In the fourth Li site, Li(4) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with four equivalent Li(2)O4 trigonal pyramids, edges with two equivalent Li(1)O4 tetrahedra, and edges with two equivalent Li(3)O5 trigonal bipyramids. Co(1) is bonded in a distorted trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Li(4), two equivalent Li(1), and one Co(1) atom to form a mixture of distorted corner, face, and edge-sharing OLi5Co octahedra. The corner-sharing octahedral tilt angles range from 50-62°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(4), two equivalent Li(3), and one Co(1) atom to form a mixture of distorted corner, face, and edge-sharing OLi5Co octahedra. The corner-sharing octahedral tilt angles range from 37-68°. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(2), two equivalent Li(3), and one Co(1) atom to form a mixture of distorted corner, face, and edge-sharing OLi5Co octahedra. The corner-sharing octahedral tilt angles range from 38-62°. is represented by the CIF card [CIF]
data_Li7(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.552
_cell_length_b   6.552
_cell_length_c   9.980
_cell_angle_alpha   74.851
_cell_angle_beta   74.851
_cell_angle_gamma   46.046
_symmetry_Int_Tables_number   1
_cell_volume   295.764
_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  0.327  0.549  0.169  1.0
  Li  Li1  1  0.437  0.226  0.407  1.0
  Li  Li2  1  0.549  0.327  0.669  1.0
  Li  Li3  1  0.821  0.727  0.296  1.0
  Li  Li4  1  0.226  0.437  0.907  1.0
  Li  Li5  1  0.273  0.179  0.204  1.0
  Li  Li6  1  0.727  0.821  0.796  1.0
  Li  Li7  1  0.774  0.563  0.093  1.0
  Li  Li8  1  0.179  0.273  0.704  1.0
  Li  Li9  1  0.451  0.673  0.331  1.0
  Li  Li10  1  0.563  0.774  0.593  1.0
  Li  Li11  1  0.955  0.045  0.250  1.0
  Li  Li12  1  0.673  0.451  0.831  1.0
  Li  Li13  1  0.045  0.955  0.750  1.0
  Co  Co14  1  0.826  0.986  0.031  1.0
  Co  Co15  1  0.986  0.826  0.531  1.0
  Co  Co16  1  0.014  0.174  0.469  1.0
  Co  Co17  1  0.174  0.014  0.969  1.0
  O  O18  1  0.144  0.655  0.370  1.0
  O  O19  1  0.627  0.144  0.199  1.0
  O  O20  1  0.655  0.144  0.870  1.0
  O  O21  1  0.055  0.602  0.086  1.0
  O  O22  1  0.144  0.627  0.699  1.0
  O  O23  1  0.398  0.945  0.414  1.0
  O  O24  1  0.602  0.055  0.586  1.0
  O  O25  1  0.856  0.373  0.301  1.0
  O  O26  1  0.945  0.398  0.914  1.0
  O  O27  1  0.345  0.856  0.130  1.0
  O  O28  1  0.373  0.856  0.801  1.0
  O  O29  1  0.856  0.345  0.630  1.0
[/CIF]
.
The material structure described by Li7(CoO3)2 crystallizes in the monoclinic C2/c space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra, edges with two equivalent Li(3)O5 trigonal bipyramids, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the second Li site, Li(2) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(3)O5 trigonal bipyramids,  an edgeedge with one Li(1)O4 tetrahedra, edges with two equivalent Li(3)O5 trigonal bipyramids, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the third Li site, Li(3) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Li(4)O4 tetrahedra, edges with two equivalent Li(1)O4 tetrahedra, edges with two equivalent Li(3)O5 trigonal bipyramids, and edges with two equivalent Li(2)O4 trigonal pyramids. In the fourth Li site, Li(4) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with four equivalent Li(2)O4 trigonal pyramids, edges with two equivalent Li(1)O4 tetrahedra, and edges with two equivalent Li(3)O5 trigonal bipyramids. Co(1) is bonded in a distorted trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Li(4), two equivalent Li(1), and one Co(1) atom to form a mixture of distorted corner, face, and edge-sharing OLi5Co octahedra. The corner-sharing octahedral tilt angles range from 50-62°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(4), two equivalent Li(3), and one Co(1) atom to form a mixture of distorted corner, face, and edge-sharing OLi5Co octahedra. The corner-sharing octahedral tilt angles range from 37-68°. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(2), two equivalent Li(3), and one Co(1) atom to form a mixture of distorted corner, face, and edge-sharing OLi5Co octahedra. The corner-sharing octahedral tilt angles range from 38-62°. is represented by the CIF card [CIF]
data_Li7(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.552
_cell_length_b   6.552
_cell_length_c   9.980
_cell_angle_alpha   74.851
_cell_angle_beta   74.851
_cell_angle_gamma   46.046
_symmetry_Int_Tables_number   1
_cell_volume   295.764
_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  0.327  0.549  0.169  1.0
  Li  Li1  1  0.437  0.226  0.407  1.0
  Li  Li2  1  0.549  0.327  0.669  1.0
  Li  Li3  1  0.821  0.727  0.296  1.0
  Li  Li4  1  0.226  0.437  0.907  1.0
  Li  Li5  1  0.273  0.179  0.204  1.0
  Li  Li6  1  0.727  0.821  0.796  1.0
  Li  Li7  1  0.774  0.563  0.093  1.0
  Li  Li8  1  0.179  0.273  0.704  1.0
  Li  Li9  1  0.451  0.673  0.331  1.0
  Li  Li10  1  0.563  0.774  0.593  1.0
  Li  Li11  1  0.955  0.045  0.250  1.0
  Li  Li12  1  0.673  0.451  0.831  1.0
  Li  Li13  1  0.045  0.955  0.750  1.0
  Co  Co14  1  0.826  0.986  0.031  1.0
  Co  Co15  1  0.986  0.826  0.531  1.0
  Co  Co16  1  0.014  0.174  0.469  1.0
  Co  Co17  1  0.174  0.014  0.969  1.0
  O  O18  1  0.144  0.655  0.370  1.0
  O  O19  1  0.627  0.144  0.199  1.0
  O  O20  1  0.655  0.144  0.870  1.0
  O  O21  1  0.055  0.602  0.086  1.0
  O  O22  1  0.144  0.627  0.699  1.0
  O  O23  1  0.398  0.945  0.414  1.0
  O  O24  1  0.602  0.055  0.586  1.0
  O  O25  1  0.856  0.373  0.301  1.0
  O  O26  1  0.945  0.398  0.914  1.0
  O  O27  1  0.345  0.856  0.130  1.0
  O  O28  1  0.373  0.856  0.801  1.0
  O  O29  1  0.856  0.345  0.630  1.0
[/CIF]
.