The compound described by Li5(NiO2)4 crystallizes in the orthorhombic Cmc2_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(2) atoms to form LiO4 tetrahedra that share  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-62°. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the third Li site, Li(3) is bonded to one O(4), one O(5), two equivalent O(2), and two equivalent O(3) atoms to form distorted LiO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, edges with two equivalent Ni(3)O6 octahedra, edges with four equivalent Ni(2)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(1), one O(6), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(4), one O(5), two equivalent O(2), and two equivalent O(3) atoms to form distorted NiO6 octahedra that share corners with two equivalent Ni(3)O6 octahedra, corners with three equivalent Li(3)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and  a faceface with one Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-52°. In the second Ni site, Ni(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the third Ni site, Ni(3) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with four equivalent Ni(2)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Li(1), one Li(4), two equivalent Li(2), one Ni(3), and two equivalent Ni(2) atoms. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(1), one Li(2), one Li(3), one Li(4), one Ni(1), one Ni(2), and one Ni(3) atom. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Li(4), one Ni(1), one Ni(2), and one Ni(3) atom to form edge-sharing OLi3Ni3 octahedra. In the fourth O site, O(4) is bonded in a 7-coordinate geometry to one Li(1), one Li(3), two equivalent Li(2), one Ni(1), and two equivalent Ni(2) atoms. In the fifth O site, O(5) is bonded to one Li(3), two equivalent Li(2), one Ni(1), and two equivalent Ni(2) atoms to form edge-sharing OLi3Ni3 octahedra. In the sixth O site, O(6) is bonded to one Li(4), two equivalent Li(2), one Ni(3), and two equivalent Ni(2) atoms to form distorted edge-sharing OLi3Ni3 pentagonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5(NiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.980
_cell_length_b   5.980
_cell_length_c   9.627
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   122.587
_symmetry_Int_Tables_number   1
_cell_volume   290.033
_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  0.988  0.012  0.485  1.0
  Li  Li1  1  0.012  0.988  0.985  1.0
  Li  Li2  1  0.818  0.616  0.558  1.0
  Li  Li3  1  0.679  0.321  0.782  1.0
  Li  Li4  1  0.799  0.201  0.545  1.0
  Li  Li5  1  0.384  0.182  0.558  1.0
  Li  Li6  1  0.616  0.818  0.058  1.0
  Li  Li7  1  0.321  0.679  0.282  1.0
  Li  Li8  1  0.201  0.799  0.045  1.0
  Li  Li9  1  0.182  0.384  0.058  1.0
  Ni  Ni10  1  0.667  0.333  0.034  1.0
  Ni  Ni11  1  0.333  0.667  0.534  1.0
  Ni  Ni12  1  0.826  0.670  0.286  1.0
  Ni  Ni13  1  0.824  0.176  0.287  1.0
  Ni  Ni14  1  0.330  0.174  0.286  1.0
  Ni  Ni15  1  0.670  0.826  0.786  1.0
  Ni  Ni16  1  0.176  0.824  0.787  1.0
  Ni  Ni17  1  0.174  0.330  0.786  1.0
  O  O18  1  0.007  0.993  0.681  1.0
  O  O19  1  0.993  0.007  0.181  1.0
  O  O20  1  0.839  0.648  0.914  1.0
  O  O21  1  0.975  0.494  0.158  1.0
  O  O22  1  0.853  0.147  0.902  1.0
  O  O23  1  0.509  0.491  0.168  1.0
  O  O24  1  0.658  0.342  0.399  1.0
  O  O25  1  0.506  0.025  0.158  1.0
  O  O26  1  0.648  0.839  0.414  1.0
  O  O27  1  0.352  0.161  0.914  1.0
  O  O28  1  0.494  0.975  0.658  1.0
  O  O29  1  0.491  0.509  0.668  1.0
  O  O30  1  0.342  0.658  0.899  1.0
  O  O31  1  0.147  0.853  0.402  1.0
  O  O32  1  0.025  0.506  0.658  1.0
  O  O33  1  0.161  0.352  0.414  1.0
[/CIF]
.
The compound described by Li5(NiO2)4 crystallizes in the orthorhombic Cmc2_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(2) atoms to form LiO4 tetrahedra that share  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-62°. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the third Li site, Li(3) is bonded to one O(4), one O(5), two equivalent O(2), and two equivalent O(3) atoms to form distorted LiO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, edges with two equivalent Ni(3)O6 octahedra, edges with four equivalent Ni(2)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(1), one O(6), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(4), one O(5), two equivalent O(2), and two equivalent O(3) atoms to form distorted NiO6 octahedra that share corners with two equivalent Ni(3)O6 octahedra, corners with three equivalent Li(3)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and  a faceface with one Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-52°. In the second Ni site, Ni(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the third Ni site, Ni(3) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with four equivalent Ni(2)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Li(1), one Li(4), two equivalent Li(2), one Ni(3), and two equivalent Ni(2) atoms. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(1), one Li(2), one Li(3), one Li(4), one Ni(1), one Ni(2), and one Ni(3) atom. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Li(4), one Ni(1), one Ni(2), and one Ni(3) atom to form edge-sharing OLi3Ni3 octahedra. In the fourth O site, O(4) is bonded in a 7-coordinate geometry to one Li(1), one Li(3), two equivalent Li(2), one Ni(1), and two equivalent Ni(2) atoms. In the fifth O site, O(5) is bonded to one Li(3), two equivalent Li(2), one Ni(1), and two equivalent Ni(2) atoms to form edge-sharing OLi3Ni3 octahedra. In the sixth O site, O(6) is bonded to one Li(4), two equivalent Li(2), one Ni(3), and two equivalent Ni(2) atoms to form distorted edge-sharing OLi3Ni3 pentagonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5(NiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.980
_cell_length_b   5.980
_cell_length_c   9.627
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   122.587
_symmetry_Int_Tables_number   1
_cell_volume   290.033
_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  0.988  0.012  0.485  1.0
  Li  Li1  1  0.012  0.988  0.985  1.0
  Li  Li2  1  0.818  0.616  0.558  1.0
  Li  Li3  1  0.679  0.321  0.782  1.0
  Li  Li4  1  0.799  0.201  0.545  1.0
  Li  Li5  1  0.384  0.182  0.558  1.0
  Li  Li6  1  0.616  0.818  0.058  1.0
  Li  Li7  1  0.321  0.679  0.282  1.0
  Li  Li8  1  0.201  0.799  0.045  1.0
  Li  Li9  1  0.182  0.384  0.058  1.0
  Ni  Ni10  1  0.667  0.333  0.034  1.0
  Ni  Ni11  1  0.333  0.667  0.534  1.0
  Ni  Ni12  1  0.826  0.670  0.286  1.0
  Ni  Ni13  1  0.824  0.176  0.287  1.0
  Ni  Ni14  1  0.330  0.174  0.286  1.0
  Ni  Ni15  1  0.670  0.826  0.786  1.0
  Ni  Ni16  1  0.176  0.824  0.787  1.0
  Ni  Ni17  1  0.174  0.330  0.786  1.0
  O  O18  1  0.007  0.993  0.681  1.0
  O  O19  1  0.993  0.007  0.181  1.0
  O  O20  1  0.839  0.648  0.914  1.0
  O  O21  1  0.975  0.494  0.158  1.0
  O  O22  1  0.853  0.147  0.902  1.0
  O  O23  1  0.509  0.491  0.168  1.0
  O  O24  1  0.658  0.342  0.399  1.0
  O  O25  1  0.506  0.025  0.158  1.0
  O  O26  1  0.648  0.839  0.414  1.0
  O  O27  1  0.352  0.161  0.914  1.0
  O  O28  1  0.494  0.975  0.658  1.0
  O  O29  1  0.491  0.509  0.668  1.0
  O  O30  1  0.342  0.658  0.899  1.0
  O  O31  1  0.147  0.853  0.402  1.0
  O  O32  1  0.025  0.506  0.658  1.0
  O  O33  1  0.161  0.352  0.414  1.0
[/CIF]
.