The structure 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 3-coordinate geometry to one O(2), one O(3), and one O(5) atom. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Co(1)O4 tetrahedra, corners with three equivalent Co(2)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one O(1), one O(5), and one O(6) atom. In the fourth Li site, Li(4) is bonded in a trigonal planar geometry to one O(2), one O(5), and one O(6) atom. 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 distorted LiO4 tetrahedra that share corners with two equivalent Co(2)O4 tetrahedra, corners with three equivalent Co(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one O(2), one O(4), one O(5), and one O(6) atom. In the seventh Li site, Li(7) is bonded in a distorted trigonal non-coplanar geometry to one O(2), one O(4), and one O(6) atom. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form distorted CoO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with three equivalent Li(5)O4 tetrahedra, and  an edgeedge with one Co(2)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted CoO4 tetrahedra that share corners with two equivalent Li(5)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, and  an edgeedge with one Co(1)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Li(5), and one Co(2) atom. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(4), one Li(6), one Li(7), and one Co(2) atom to form a mixture of distorted edge and corner-sharing OLi5Co pentagonal pyramids. The corner-sharing octahedral tilt angles are 65°. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Co(1), and one Co(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(5), one Li(6), one Li(7), one Co(1), and one Co(2) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Li(4), one Li(5), one Li(6), and one Co(1) atom to form a mixture of distorted edge and corner-sharing OLi5Co octahedra. In the sixth O site, O(6) is bonded in a 7-coordinate geometry to one Li(2), one Li(3), one Li(4), one Li(5), one Li(6), one Li(7), and one Co(1) atom. is represented by the CIF card [CIF]
data_Li7(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.277
_cell_length_b   5.592
_cell_length_c   5.762
_cell_angle_alpha   118.465
_cell_angle_beta   90.149
_cell_angle_gamma   91.516
_symmetry_Int_Tables_number   1
_cell_volume   149.397
_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  0.909  0.500  0.192  1.0
  Li  Li1  1  0.829  0.977  0.829  1.0
  Li  Li2  1  0.509  0.782  0.018  1.0
  Li  Li3  1  0.429  0.291  0.962  1.0
  Li  Li4  1  0.136  0.037  0.188  1.0
  Li  Li5  1  0.076  0.587  0.816  1.0
  Li  Li6  1  0.091  0.100  0.616  1.0
  Co  Co7  1  0.362  0.682  0.492  1.0
  Co  Co8  1  0.654  0.291  0.503  1.0
  O  O9  1  0.768  0.057  0.179  1.0
  O  O10  1  0.777  0.323  0.819  1.0
  O  O11  1  0.728  0.646  0.527  1.0
  O  O12  1  0.288  0.327  0.521  1.0
  O  O13  1  0.240  0.654  0.160  1.0
  O  O14  1  0.223  0.953  0.833  1.0
[/CIF]
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The structure 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 3-coordinate geometry to one O(2), one O(3), and one O(5) atom. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Co(1)O4 tetrahedra, corners with three equivalent Co(2)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one O(1), one O(5), and one O(6) atom. In the fourth Li site, Li(4) is bonded in a trigonal planar geometry to one O(2), one O(5), and one O(6) atom. 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 distorted LiO4 tetrahedra that share corners with two equivalent Co(2)O4 tetrahedra, corners with three equivalent Co(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one O(2), one O(4), one O(5), and one O(6) atom. In the seventh Li site, Li(7) is bonded in a distorted trigonal non-coplanar geometry to one O(2), one O(4), and one O(6) atom. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form distorted CoO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with three equivalent Li(5)O4 tetrahedra, and  an edgeedge with one Co(2)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted CoO4 tetrahedra that share corners with two equivalent Li(5)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, and  an edgeedge with one Co(1)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Li(5), and one Co(2) atom. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(4), one Li(6), one Li(7), and one Co(2) atom to form a mixture of distorted edge and corner-sharing OLi5Co pentagonal pyramids. The corner-sharing octahedral tilt angles are 65°. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Co(1), and one Co(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(5), one Li(6), one Li(7), one Co(1), and one Co(2) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Li(4), one Li(5), one Li(6), and one Co(1) atom to form a mixture of distorted edge and corner-sharing OLi5Co octahedra. In the sixth O site, O(6) is bonded in a 7-coordinate geometry to one Li(2), one Li(3), one Li(4), one Li(5), one Li(6), one Li(7), and one Co(1) atom. is represented by the CIF card [CIF]
data_Li7(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.277
_cell_length_b   5.592
_cell_length_c   5.762
_cell_angle_alpha   118.465
_cell_angle_beta   90.149
_cell_angle_gamma   91.516
_symmetry_Int_Tables_number   1
_cell_volume   149.397
_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  0.909  0.500  0.192  1.0
  Li  Li1  1  0.829  0.977  0.829  1.0
  Li  Li2  1  0.509  0.782  0.018  1.0
  Li  Li3  1  0.429  0.291  0.962  1.0
  Li  Li4  1  0.136  0.037  0.188  1.0
  Li  Li5  1  0.076  0.587  0.816  1.0
  Li  Li6  1  0.091  0.100  0.616  1.0
  Co  Co7  1  0.362  0.682  0.492  1.0
  Co  Co8  1  0.654  0.291  0.503  1.0
  O  O9  1  0.768  0.057  0.179  1.0
  O  O10  1  0.777  0.323  0.819  1.0
  O  O11  1  0.728  0.646  0.527  1.0
  O  O12  1  0.288  0.327  0.521  1.0
  O  O13  1  0.240  0.654  0.160  1.0
  O  O14  1  0.223  0.953  0.833  1.0
[/CIF]
.