LiNiO2 is Caswellsilverite-like structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form LiO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with six equivalent Ni(2)O6 octahedra, edges with three equivalent Ni(1)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and  a faceface with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-49°. In the second Li site, Li(2) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form distorted LiO6 octahedra that share corners with three equivalent Ni(2)O6 octahedra, corners with six equivalent Ni(1)O6 octahedra, edges with three equivalent Ni(2)O6 octahedra, edges with six equivalent Li(2)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-49°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form NiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with six equivalent Li(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, edges with six equivalent Ni(1)O6 octahedra, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-49°. In the second Ni site, Ni(2) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form NiO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with six equivalent Li(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, edges with six equivalent Ni(2)O6 octahedra, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-49°. There are four 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 edge-sharing OLi3Ni3 octahedra. In the second O site, O(2) is bonded to three equivalent Li(2) and three equivalent Ni(2) atoms to form edge-sharing OLi3Ni3 octahedra. In the third O site, O(3) is bonded in a 6-coordinate geometry to three equivalent Li(1) and three equivalent Ni(2) atoms. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to three equivalent Li(2) and three equivalent Ni(1) atoms.
LiNiO2 is Caswellsilverite-like structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form LiO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with six equivalent Ni(2)O6 octahedra, edges with three equivalent Ni(1)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and  a faceface with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-49°. There are two shorter (2.05 Å) and one longer (2.06 Å) Li(1)-O(1) bond length. There are two shorter (2.12 Å) and one longer (2.23 Å) Li(1)-O(3) bond length. In the second Li site, Li(2) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form distorted LiO6 octahedra that share corners with three equivalent Ni(2)O6 octahedra, corners with six equivalent Ni(1)O6 octahedra, edges with three equivalent Ni(2)O6 octahedra, edges with six equivalent Li(2)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-49°. All Li(2)-O(2) bond lengths are 2.06 Å. There are two shorter (2.11 Å) and one longer (2.25 Å) Li(2)-O(4) bond length. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form NiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with six equivalent Li(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, edges with six equivalent Ni(1)O6 octahedra, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-49°. There are two shorter (1.89 Å) and one longer (2.12 Å) Ni(1)-O(1) bond length. There are two shorter (1.89 Å) and one longer (2.11 Å) Ni(1)-O(4) bond length. In the second Ni site, Ni(2) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form NiO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with six equivalent Li(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, edges with six equivalent Ni(2)O6 octahedra, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-49°. There are two shorter (1.89 Å) and one longer (2.12 Å) Ni(2)-O(2) bond length. There are two shorter (1.89 Å) and one longer (2.11 Å) Ni(2)-O(3) bond length. There are four 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 edge-sharing OLi3Ni3 octahedra. In the second O site, O(2) is bonded to three equivalent Li(2) and three equivalent Ni(2) atoms to form edge-sharing OLi3Ni3 octahedra. In the third O site, O(3) is bonded in a 6-coordinate geometry to three equivalent Li(1) and three equivalent Ni(2) atoms. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to three equivalent Li(2) and three equivalent Ni(1) atoms.