LiV2O4 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing VO6 octahedra. In the second V site, V(2) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form edge-sharing VO6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), and two equivalent V(2) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(2), and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(2), and two equivalent V(1) atoms.
LiV2O4 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. The Li(1)-O(2) bond length is 1.91 Å. The Li(1)-O(3) bond length is 2.17 Å. Both Li(1)-O(1) bond lengths are 2.03 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing VO6 octahedra. Both V(1)-O(1) bond lengths are 1.97 Å. Both V(1)-O(2) bond lengths are 2.01 Å. Both V(1)-O(3) bond lengths are 1.95 Å. In the second V site, V(2) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form edge-sharing VO6 octahedra. The V(2)-O(2) bond length is 2.06 Å. The V(2)-O(3) bond length is 2.15 Å. There are two shorter (2.01 Å) and two longer (2.05 Å) V(2)-O(1) 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 one Li(1), one V(1), and two equivalent V(2) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(2), and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(2), and two equivalent V(1) atoms.