The compound described by Li8(NiO2)5 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), and two equivalent O(5) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(3)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Li(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 3-63°. In the second Li site, Li(2) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form LiO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(3)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Li(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 10-56°. In the third Li site, Li(3) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 3-65°. In the fourth Li site, Li(4) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 1-61°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form NiO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with four equivalent Li(3)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with three equivalent Ni(3)O6 octahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra, and edges with two equivalent Li(2)O4 tetrahedra. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(4)O4 tetrahedra, edges with two equivalent Ni(3)O6 octahedra, edges with four equivalent Ni(1)O6 octahedra, edges with two equivalent Li(2)O4 tetrahedra, and edges with two equivalent Li(3)O4 tetrahedra. In the third Ni site, Ni(3) is bonded to one O(1), one O(3), two equivalent O(4), and two equivalent O(5) atoms to form NiO6 octahedra that share  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with three equivalent Ni(1)O6 octahedra,  an edgeedge with one Li(3)O4 tetrahedra, edges with two equivalent Li(1)O4 tetrahedra, and edges with two equivalent Li(4)O4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(4), one Ni(1), one Ni(2), and one Ni(3) atom to form a mixture of distorted corner and edge-sharing OLi3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-84°. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(3), one Ni(2), and two equivalent Ni(1) atoms to form a mixture of distorted corner and edge-sharing OLi3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-84°. In the third O site, O(3) is bonded in a 7-coordinate geometry to one Li(3), one Li(4), two equivalent Li(2), one Ni(1), one Ni(2), and one Ni(3) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Li(4), one Ni(1), and two equivalent Ni(3) atoms to form a mixture of corner and edge-sharing OLi3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 3-55°. In the fifth O site, O(5) is bonded to one Li(4), two equivalent Li(1), one Ni(1), and two equivalent Ni(3) atoms to form a mixture of distorted corner and edge-sharing OLi3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 3-83°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li8(NiO2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.956
_cell_length_b   5.316
_cell_length_c   5.912
_cell_angle_alpha   63.512
_cell_angle_beta   110.644
_cell_angle_gamma   90.290
_symmetry_Int_Tables_number   1
_cell_volume   205.952
_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  0.700  0.024  0.313  1.0
  Li  Li1  1  0.130  0.588  0.487  1.0
  Li  Li2  1  0.270  0.213  0.913  1.0
  Li  Li3  1  0.060  0.845  0.673  1.0
  Li  Li4  1  0.701  0.775  0.087  1.0
  Li  Li5  1  0.523  0.407  0.907  1.0
  Li  Li6  1  0.878  0.393  0.493  1.0
  Li  Li7  1  0.340  0.955  0.728  1.0
  Ni  Ni8  1  0.993  0.004  0.009  1.0
  Ni  Ni9  1  0.200  0.400  0.200  1.0
  Ni  Ni10  1  0.595  0.208  0.589  1.0
  Ni  Ni11  1  0.407  0.796  0.391  1.0
  Ni  Ni12  1  0.804  0.592  0.811  1.0
  O  O13  1  0.453  0.216  0.221  1.0
  O  O14  1  0.233  0.832  0.016  1.0
  O  O15  1  0.045  0.433  0.806  1.0
  O  O16  1  0.355  0.367  0.594  1.0
  O  O17  1  0.845  0.015  0.642  1.0
  O  O18  1  0.167  0.968  0.384  1.0
  O  O19  1  0.652  0.625  0.426  1.0
  O  O20  1  0.947  0.584  0.179  1.0
  O  O21  1  0.748  0.175  0.974  1.0
  O  O22  1  0.555  0.785  0.758  1.0
[/CIF]
.
The compound described by Li8(NiO2)5 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), and two equivalent O(5) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(3)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Li(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 3-63°. In the second Li site, Li(2) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form LiO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(3)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Li(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 10-56°. In the third Li site, Li(3) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 3-65°. In the fourth Li site, Li(4) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 1-61°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form NiO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with four equivalent Li(3)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with three equivalent Ni(3)O6 octahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra, and edges with two equivalent Li(2)O4 tetrahedra. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(4)O4 tetrahedra, edges with two equivalent Ni(3)O6 octahedra, edges with four equivalent Ni(1)O6 octahedra, edges with two equivalent Li(2)O4 tetrahedra, and edges with two equivalent Li(3)O4 tetrahedra. In the third Ni site, Ni(3) is bonded to one O(1), one O(3), two equivalent O(4), and two equivalent O(5) atoms to form NiO6 octahedra that share  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with three equivalent Ni(1)O6 octahedra,  an edgeedge with one Li(3)O4 tetrahedra, edges with two equivalent Li(1)O4 tetrahedra, and edges with two equivalent Li(4)O4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(4), one Ni(1), one Ni(2), and one Ni(3) atom to form a mixture of distorted corner and edge-sharing OLi3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-84°. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(3), one Ni(2), and two equivalent Ni(1) atoms to form a mixture of distorted corner and edge-sharing OLi3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-84°. In the third O site, O(3) is bonded in a 7-coordinate geometry to one Li(3), one Li(4), two equivalent Li(2), one Ni(1), one Ni(2), and one Ni(3) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Li(4), one Ni(1), and two equivalent Ni(3) atoms to form a mixture of corner and edge-sharing OLi3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 3-55°. In the fifth O site, O(5) is bonded to one Li(4), two equivalent Li(1), one Ni(1), and two equivalent Ni(3) atoms to form a mixture of distorted corner and edge-sharing OLi3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 3-83°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li8(NiO2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.956
_cell_length_b   5.316
_cell_length_c   5.912
_cell_angle_alpha   63.512
_cell_angle_beta   110.644
_cell_angle_gamma   90.290
_symmetry_Int_Tables_number   1
_cell_volume   205.952
_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  0.700  0.024  0.313  1.0
  Li  Li1  1  0.130  0.588  0.487  1.0
  Li  Li2  1  0.270  0.213  0.913  1.0
  Li  Li3  1  0.060  0.845  0.673  1.0
  Li  Li4  1  0.701  0.775  0.087  1.0
  Li  Li5  1  0.523  0.407  0.907  1.0
  Li  Li6  1  0.878  0.393  0.493  1.0
  Li  Li7  1  0.340  0.955  0.728  1.0
  Ni  Ni8  1  0.993  0.004  0.009  1.0
  Ni  Ni9  1  0.200  0.400  0.200  1.0
  Ni  Ni10  1  0.595  0.208  0.589  1.0
  Ni  Ni11  1  0.407  0.796  0.391  1.0
  Ni  Ni12  1  0.804  0.592  0.811  1.0
  O  O13  1  0.453  0.216  0.221  1.0
  O  O14  1  0.233  0.832  0.016  1.0
  O  O15  1  0.045  0.433  0.806  1.0
  O  O16  1  0.355  0.367  0.594  1.0
  O  O17  1  0.845  0.015  0.642  1.0
  O  O18  1  0.167  0.968  0.384  1.0
  O  O19  1  0.652  0.625  0.426  1.0
  O  O20  1  0.947  0.584  0.179  1.0
  O  O21  1  0.748  0.175  0.974  1.0
  O  O22  1  0.555  0.785  0.758  1.0
[/CIF]
.