LiNiO2 is Ilmenite-like structured and crystallizes in the monoclinic Cm space group. Li(1) is bonded in a rectangular see-saw-like geometry to one O(2) and three equivalent O(1) atoms. Ni(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form edge-sharing NiO6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(1) and three equivalent Ni(1) atoms to form OLi3Ni3 octahedra that share corners with six equivalent O(2)LiNi3 tetrahedra, edges with six equivalent O(1)Li3Ni3 octahedra, and edges with three equivalent O(2)LiNi3 tetrahedra. In the second O site, O(2) is bonded to one Li(1) and three equivalent Ni(1) atoms to form distorted OLiNi3 tetrahedra that share corners with six equivalent O(1)Li3Ni3 octahedra, corners with six equivalent O(2)LiNi3 tetrahedra, and edges with three equivalent O(1)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 2-60°.
LiNiO2 is Ilmenite-like structured and crystallizes in the monoclinic Cm space group. Li(1) is bonded in a rectangular see-saw-like geometry to one O(2) and three equivalent O(1) atoms. The Li(1)-O(2) bond length is 1.89 Å. There are two shorter (1.99 Å) and one longer (2.00 Å) Li(1)-O(1) bond length. Ni(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form edge-sharing NiO6 octahedra. There are two shorter (1.94 Å) and one longer (2.26 Å) Ni(1)-O(1) bond length. There are two shorter (1.89 Å) and one longer (2.09 Å) Ni(1)-O(2) bond length. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(1) and three equivalent Ni(1) atoms to form OLi3Ni3 octahedra that share corners with six equivalent O(2)LiNi3 tetrahedra, edges with six equivalent O(1)Li3Ni3 octahedra, and edges with three equivalent O(2)LiNi3 tetrahedra. In the second O site, O(2) is bonded to one Li(1) and three equivalent Ni(1) atoms to form distorted OLiNi3 tetrahedra that share corners with six equivalent O(1)Li3Ni3 octahedra, corners with six equivalent O(2)LiNi3 tetrahedra, and edges with three equivalent O(1)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 2-60°.