The compound described by Li7(CoO3)2 crystallizes in the triclinic P1 space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(2), one O(3), and one O(6) atom. In the second Li site, Li(2) is bonded in a distorted trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form a mixture of distorted corner and edge-sharing LiO4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(2), one O(3), one O(4), and one O(5) atom 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(1), one O(4), one O(5), and one O(6) atom to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the sixth Li site, Li(6) is bonded in a distorted trigonal planar geometry to one O(4), one O(5), and one O(6) atom. In the seventh Li site, Li(7) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form a mixture of corner and edge-sharing LiO4 trigonal pyramids. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. In the second Co site, Co(2) is bonded in a distorted trigonal planar geometry to one O(1), one O(2), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Li(5), one Li(7), and one Co(2) atom to form distorted OLi5Co octahedra that share corners with two equivalent O(2)Li5Co octahedra, corners with three equivalent O(3)Li4Co square pyramids, corners with two equivalent O(4)Li4Co trigonal bipyramids,  an edgeedge with one O(5)Li4Co square pyramid, edges with two equivalent O(6)Li4Co trigonal bipyramids, and  a faceface with one O(2)Li5Co octahedra. The corner-sharing octahedral tilt angles range from 53-54°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Li(7), and one Co(2) atom to form distorted OLi5Co octahedra that share corners with two equivalent O(1)Li5Co octahedra, corners with two equivalent O(5)Li4Co square pyramids, corners with three equivalent O(6)Li4Co trigonal bipyramids, edges with two equivalent O(3)Li4Co square pyramids,  an edgeedge with one O(4)Li4Co trigonal bipyramid, and  a faceface with one O(1)Li5Co octahedra. The corner-sharing octahedral tilt angles range from 53-54°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), and one Co(1) atom to form distorted OLi4Co square pyramids that share corners with three equivalent O(1)Li5Co octahedra, corners with two equivalent O(5)Li4Co square pyramids,  a cornercorner with one O(4)Li4Co trigonal bipyramid,  a cornercorner with one O(6)Li4Co trigonal bipyramid, edges with two equivalent O(2)Li5Co octahedra, and  an edgeedge with one O(4)Li4Co trigonal bipyramid. The corner-sharing octahedral tilt angles range from 46-53°. In the fourth O site, O(4) is bonded to one Li(3), one Li(4), one Li(5), one Li(6), and one Co(1) atom to form distorted OLi4Co trigonal bipyramids that share corners with two equivalent O(1)Li5Co octahedra,  a cornercorner with one O(3)Li4Co square pyramid, corners with two equivalent O(5)Li4Co square pyramids, corners with two equivalent O(6)Li4Co trigonal bipyramids,  an edgeedge with one O(2)Li5Co octahedra,  an edgeedge with one O(3)Li4Co square pyramid, and  an edgeedge with one O(5)Li4Co square pyramid. The corner-sharing octahedral tilt angles range from 55-65°. In the fifth O site, O(5) is bonded to one Li(4), one Li(5), one Li(6), one Li(7), and one Co(1) atom to form distorted OLi4Co square pyramids that share corners with two equivalent O(2)Li5Co octahedra, corners with two equivalent O(3)Li4Co square pyramids,  a cornercorner with one O(6)Li4Co trigonal bipyramid, corners with two equivalent O(4)Li4Co trigonal bipyramids,  an edgeedge with one O(1)Li5Co octahedra,  an edgeedge with one O(4)Li4Co trigonal bipyramid, and  an edgeedge with one O(6)Li4Co trigonal bipyramid. The corner-sharing octahedral tilt angles range from 56-65°. In the sixth O site, O(6) is bonded to one Li(1), one Li(5), one Li(6), one Li(7), and one Co(2) atom to form OLi4Co trigonal bipyramids that share corners with three equivalent O(2)Li5Co octahedra,  a cornercorner with one O(3)Li4Co square pyramid,  a cornercorner with one O(5)Li4Co square pyramid, corners with two equivalent O(4)Li4Co trigonal bipyramids, edges with two equivalent O(1)Li5Co octahedra, and  an edgeedge with one O(5)Li4Co square pyramid. The corner-sharing octahedral tilt angles range from 45-55°. is represented by the CIF file [CIF]
data_Li7(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.254
_cell_length_b   5.614
_cell_length_c   6.980
_cell_angle_alpha   110.311
_cell_angle_beta   87.738
_cell_angle_gamma   118.593
_symmetry_Int_Tables_number   1
_cell_volume   167.498
_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  0.776  0.353  0.916  1.0
  Li  Li1  1  0.346  0.726  0.823  1.0
  Li  Li2  1  0.295  0.219  0.722  1.0
  Li  Li3  1  0.744  0.513  0.608  1.0
  Li  Li4  1  0.592  0.225  0.221  1.0
  Li  Li5  1  0.082  0.726  0.313  1.0
  Li  Li6  1  0.425  0.504  0.118  1.0
  Co  Co7  1  0.727  0.005  0.502  1.0
  Co  Co8  1  0.958  0.990  0.997  1.0
  O  O9  1  0.353  0.088  0.952  1.0
  O  O10  1  0.633  0.626  0.886  1.0
  O  O11  1  0.008  0.345  0.676  1.0
  O  O12  1  0.442  0.072  0.450  1.0
  O  O13  1  0.708  0.659  0.394  1.0
  O  O14  1  0.001  0.361  0.132  1.0
[/CIF]
.
The compound described by Li7(CoO3)2 crystallizes in the triclinic P1 space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(2), one O(3), and one O(6) atom. In the second Li site, Li(2) is bonded in a distorted trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form a mixture of distorted corner and edge-sharing LiO4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(2), one O(3), one O(4), and one O(5) atom 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(1), one O(4), one O(5), and one O(6) atom to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the sixth Li site, Li(6) is bonded in a distorted trigonal planar geometry to one O(4), one O(5), and one O(6) atom. In the seventh Li site, Li(7) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form a mixture of corner and edge-sharing LiO4 trigonal pyramids. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. In the second Co site, Co(2) is bonded in a distorted trigonal planar geometry to one O(1), one O(2), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Li(5), one Li(7), and one Co(2) atom to form distorted OLi5Co octahedra that share corners with two equivalent O(2)Li5Co octahedra, corners with three equivalent O(3)Li4Co square pyramids, corners with two equivalent O(4)Li4Co trigonal bipyramids,  an edgeedge with one O(5)Li4Co square pyramid, edges with two equivalent O(6)Li4Co trigonal bipyramids, and  a faceface with one O(2)Li5Co octahedra. The corner-sharing octahedral tilt angles range from 53-54°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Li(7), and one Co(2) atom to form distorted OLi5Co octahedra that share corners with two equivalent O(1)Li5Co octahedra, corners with two equivalent O(5)Li4Co square pyramids, corners with three equivalent O(6)Li4Co trigonal bipyramids, edges with two equivalent O(3)Li4Co square pyramids,  an edgeedge with one O(4)Li4Co trigonal bipyramid, and  a faceface with one O(1)Li5Co octahedra. The corner-sharing octahedral tilt angles range from 53-54°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), and one Co(1) atom to form distorted OLi4Co square pyramids that share corners with three equivalent O(1)Li5Co octahedra, corners with two equivalent O(5)Li4Co square pyramids,  a cornercorner with one O(4)Li4Co trigonal bipyramid,  a cornercorner with one O(6)Li4Co trigonal bipyramid, edges with two equivalent O(2)Li5Co octahedra, and  an edgeedge with one O(4)Li4Co trigonal bipyramid. The corner-sharing octahedral tilt angles range from 46-53°. In the fourth O site, O(4) is bonded to one Li(3), one Li(4), one Li(5), one Li(6), and one Co(1) atom to form distorted OLi4Co trigonal bipyramids that share corners with two equivalent O(1)Li5Co octahedra,  a cornercorner with one O(3)Li4Co square pyramid, corners with two equivalent O(5)Li4Co square pyramids, corners with two equivalent O(6)Li4Co trigonal bipyramids,  an edgeedge with one O(2)Li5Co octahedra,  an edgeedge with one O(3)Li4Co square pyramid, and  an edgeedge with one O(5)Li4Co square pyramid. The corner-sharing octahedral tilt angles range from 55-65°. In the fifth O site, O(5) is bonded to one Li(4), one Li(5), one Li(6), one Li(7), and one Co(1) atom to form distorted OLi4Co square pyramids that share corners with two equivalent O(2)Li5Co octahedra, corners with two equivalent O(3)Li4Co square pyramids,  a cornercorner with one O(6)Li4Co trigonal bipyramid, corners with two equivalent O(4)Li4Co trigonal bipyramids,  an edgeedge with one O(1)Li5Co octahedra,  an edgeedge with one O(4)Li4Co trigonal bipyramid, and  an edgeedge with one O(6)Li4Co trigonal bipyramid. The corner-sharing octahedral tilt angles range from 56-65°. In the sixth O site, O(6) is bonded to one Li(1), one Li(5), one Li(6), one Li(7), and one Co(2) atom to form OLi4Co trigonal bipyramids that share corners with three equivalent O(2)Li5Co octahedra,  a cornercorner with one O(3)Li4Co square pyramid,  a cornercorner with one O(5)Li4Co square pyramid, corners with two equivalent O(4)Li4Co trigonal bipyramids, edges with two equivalent O(1)Li5Co octahedra, and  an edgeedge with one O(5)Li4Co square pyramid. The corner-sharing octahedral tilt angles range from 45-55°. is represented by the CIF file [CIF]
data_Li7(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.254
_cell_length_b   5.614
_cell_length_c   6.980
_cell_angle_alpha   110.311
_cell_angle_beta   87.738
_cell_angle_gamma   118.593
_symmetry_Int_Tables_number   1
_cell_volume   167.498
_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  0.776  0.353  0.916  1.0
  Li  Li1  1  0.346  0.726  0.823  1.0
  Li  Li2  1  0.295  0.219  0.722  1.0
  Li  Li3  1  0.744  0.513  0.608  1.0
  Li  Li4  1  0.592  0.225  0.221  1.0
  Li  Li5  1  0.082  0.726  0.313  1.0
  Li  Li6  1  0.425  0.504  0.118  1.0
  Co  Co7  1  0.727  0.005  0.502  1.0
  Co  Co8  1  0.958  0.990  0.997  1.0
  O  O9  1  0.353  0.088  0.952  1.0
  O  O10  1  0.633  0.626  0.886  1.0
  O  O11  1  0.008  0.345  0.676  1.0
  O  O12  1  0.442  0.072  0.450  1.0
  O  O13  1  0.708  0.659  0.394  1.0
  O  O14  1  0.001  0.361  0.132  1.0
[/CIF]
.