Li2VH2OF5 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent F(2) and two equivalent F(3) atoms. V(1) is bonded in an octahedral geometry to one O(1), one F(1), two equivalent F(2), and two equivalent F(3) atoms. H(1) is bonded in a single-bond geometry to one O(1) atom. O(1) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent H(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one V(1) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to two equivalent Li(1) and one V(1) atom. In the third F site, F(3) is bonded in a trigonal non-coplanar geometry to two equivalent Li(1) and one V(1) atom.
Li2VH2OF5 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent F(2) and two equivalent F(3) atoms. There is one shorter (1.99 Å) and one longer (2.02 Å) Li(1)-F(2) bond length. Both Li(1)-F(3) bond lengths are 2.10 Å. V(1) is bonded in an octahedral geometry to one O(1), one F(1), two equivalent F(2), and two equivalent F(3) atoms. The V(1)-O(1) bond length is 2.00 Å. The V(1)-F(1) bond length is 1.88 Å. Both V(1)-F(2) bond lengths are 2.00 Å. Both V(1)-F(3) bond lengths are 2.01 Å. H(1) is bonded in a single-bond geometry to one O(1) atom. The H(1)-O(1) bond length is 0.99 Å. O(1) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent H(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one V(1) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to two equivalent Li(1) and one V(1) atom. In the third F site, F(3) is bonded in a trigonal non-coplanar geometry to two equivalent Li(1) and one V(1) atom.