LiNiVO4 is Spinel-derived structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with four equivalent Ni(1)O6 octahedra, corners with two equivalent V(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-59°. V(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form VO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-60°. Ni(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form NiO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, corners with four equivalent V(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and  an edgeedge with one V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-59°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one V(1), and one Ni(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one V(1), and one Ni(1) atom to form distorted corner-sharing OLi2VNi trigonal pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), and two equivalent Ni(1) atoms.
LiNiVO4 is Spinel-derived structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with four equivalent Ni(1)O6 octahedra, corners with two equivalent V(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-59°. Both Li(1)-O(1) bond lengths are 2.19 Å. Both Li(1)-O(2) bond lengths are 2.10 Å. Both Li(1)-O(3) bond lengths are 2.22 Å. V(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form VO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-60°. The V(1)-O(1) bond length is 1.74 Å. The V(1)-O(2) bond length is 1.74 Å. Both V(1)-O(3) bond lengths are 1.76 Å. Ni(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form NiO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, corners with four equivalent V(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and  an edgeedge with one V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-59°. The Ni(1)-O(1) bond length is 2.06 Å. The Ni(1)-O(2) bond length is 2.08 Å. There are two shorter (2.07 Å) and two longer (2.21 Å) Ni(1)-O(3) bond lengths. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one V(1), and one Ni(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one V(1), and one Ni(1) atom to form distorted corner-sharing OLi2VNi trigonal pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), and two equivalent Ni(1) atoms.