Li(NiO2)4 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form distorted LiO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-17°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(3), and four equivalent O(2) atoms to form NiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-17°. 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 edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ni(1) and two equivalent Ni(2) atoms. In the second O site, O(2) is bonded in a see-saw-like geometry to one Li(1), one Ni(2), and two equivalent Ni(1) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ni(1), and two equivalent Ni(2) atoms.
Li(NiO2)4 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form distorted LiO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-17°. Both Li(1)-O(3) bond lengths are 2.15 Å. All Li(1)-O(2) bond lengths are 2.19 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(3), and four equivalent O(2) atoms to form NiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-17°. The Ni(1)-O(1) bond length is 2.00 Å. The Ni(1)-O(3) bond length is 2.01 Å. There are two shorter (1.90 Å) and two longer (1.91 Å) Ni(1)-O(2) bond lengths. 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 edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. Both Ni(2)-O(1) bond lengths are 1.87 Å. Both Ni(2)-O(2) bond lengths are 1.87 Å. Both Ni(2)-O(3) bond lengths are 1.88 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ni(1) and two equivalent Ni(2) atoms. In the second O site, O(2) is bonded in a see-saw-like geometry to one Li(1), one Ni(2), and two equivalent Ni(1) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ni(1), and two equivalent Ni(2) atoms.