LiV2OF7 crystallizes in the monoclinic Cm space group. Li(1) is bonded to one O(1), one F(1), two equivalent F(4), and two equivalent F(5) atoms to form distorted LiOF5 octahedra that share corners with eight equivalent V(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 39-52°. V(1) is bonded to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(5) atom to form VOF5 octahedra that share corners with four equivalent Li(1)OF5 octahedra and edges with two equivalent V(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 39-52°. O(1) is bonded in a trigonal planar geometry to one Li(1) and two equivalent V(1) atoms. There are five inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent V(1) atoms. In the second F site, F(2) is bonded in a water-like geometry to two equivalent V(1) atoms. In the third F site, F(3) is bonded in a water-like geometry to two equivalent V(1) atoms. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom.
LiV2OF7 crystallizes in the monoclinic Cm space group. Li(1) is bonded to one O(1), one F(1), two equivalent F(4), and two equivalent F(5) atoms to form distorted LiOF5 octahedra that share corners with eight equivalent V(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 39-52°. The Li(1)-O(1) bond length is 2.06 Å. The Li(1)-F(1) bond length is 2.46 Å. Both Li(1)-F(4) bond lengths are 2.05 Å. Both Li(1)-F(5) bond lengths are 2.06 Å. V(1) is bonded to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(5) atom to form VOF5 octahedra that share corners with four equivalent Li(1)OF5 octahedra and edges with two equivalent V(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 39-52°. The V(1)-O(1) bond length is 1.87 Å. The V(1)-F(1) bond length is 1.99 Å. The V(1)-F(2) bond length is 2.02 Å. The V(1)-F(3) bond length is 1.99 Å. The V(1)-F(4) bond length is 1.82 Å. The V(1)-F(5) bond length is 1.82 Å. O(1) is bonded in a trigonal planar geometry to one Li(1) and two equivalent V(1) atoms. There are five inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent V(1) atoms. In the second F site, F(2) is bonded in a water-like geometry to two equivalent V(1) atoms. In the third F site, F(3) is bonded in a water-like geometry to two equivalent V(1) atoms. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom.