LiVF4 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a see-saw-like geometry to four equivalent F(1) atoms. V(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one V(1) atom. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to two equivalent V(1) atoms.
LiVF4 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a see-saw-like geometry to four equivalent F(1) atoms. There are two shorter (1.91 Å) and two longer (1.93 Å) Li(1)-F(1) bond lengths. V(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles are 45°. Both V(1)-F(1) bond lengths are 1.94 Å. There are two shorter (1.96 Å) and two longer (2.04 Å) V(1)-F(2) bond lengths. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one V(1) atom. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to two equivalent V(1) atoms.