LiNi2O4 is Spinel structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with six equivalent Ni(1)O6 octahedra and corners with six equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-62°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. In the second Ni site, Ni(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Ni(2), and two equivalent Ni(1) atoms to form a mixture of distorted corner and edge-sharing OLiNi3 tetrahedra. In the second O site, O(2) is bonded to one Li(1), one Ni(1), and two equivalent Ni(2) atoms to form a mixture of distorted corner and edge-sharing OLiNi3 trigonal pyramids.
LiNi2O4 is Spinel structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with six equivalent Ni(1)O6 octahedra and corners with six equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-62°. Both Li(1)-O(1) bond lengths are 1.93 Å. Both Li(1)-O(2) bond lengths are 1.92 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. Both Ni(1)-O(2) bond lengths are 2.07 Å. All Ni(1)-O(1) bond lengths are 1.88 Å. In the second Ni site, Ni(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, 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. All Ni(2)-O(2) bond lengths are 1.87 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Ni(2), and two equivalent Ni(1) atoms to form a mixture of distorted corner and edge-sharing OLiNi3 tetrahedra. In the second O site, O(2) is bonded to one Li(1), one Ni(1), and two equivalent Ni(2) atoms to form a mixture of distorted corner and edge-sharing OLiNi3 trigonal pyramids.