Li2VF6 crystallizes in the tetragonal P4/mnc space group. Li(1) is bonded in a 4-coordinate geometry to four equivalent F(1) atoms. V(1) is bonded in an octahedral geometry to two equivalent F(2) and four equivalent F(1) atoms. There are two inequivalent F sites. In the first F site, F(2) is bonded in a single-bond geometry to one V(1) atom. In the second F site, F(1) is bonded in a trigonal planar geometry to two equivalent Li(1) and one V(1) atom.
Li2VF6 crystallizes in the tetragonal P4/mnc space group. Li(1) is bonded in a 4-coordinate geometry to four equivalent F(1) atoms. All Li(1)-F(1) bond lengths are 1.98 Å. V(1) is bonded in an octahedral geometry to two equivalent F(2) and four equivalent F(1) atoms. Both V(1)-F(2) bond lengths are 1.79 Å. All V(1)-F(1) bond lengths are 1.94 Å. There are two inequivalent F sites. In the first F site, F(2) is bonded in a single-bond geometry to one V(1) atom. In the second F site, F(1) is bonded in a trigonal planar geometry to two equivalent Li(1) and one V(1) atom.