LiVF5 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one F(1), one F(2), one F(3), and one F(5) atom to form LiF4 tetrahedra that share corners with two equivalent V(1)F6 octahedra and corners with two equivalent V(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 38-62°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(4) atoms to form VF6 octahedra that share corners with two equivalent V(2)F6 octahedra and corners with four equivalent Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles are 40°. In the second V site, V(2) is bonded to two equivalent F(3), two equivalent F(4), and two equivalent F(5) atoms to form VF6 octahedra that share corners with two equivalent V(1)F6 octahedra and corners with four equivalent Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles are 40°. There are five inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. In the third F site, F(3) is bonded in a bent 120 degrees geometry to one Li(1) and one V(2) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the fifth F site, F(5) is bonded in a bent 120 degrees geometry to one Li(1) and one V(2) atom.
LiVF5 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one F(1), one F(2), one F(3), and one F(5) atom to form LiF4 tetrahedra that share corners with two equivalent V(1)F6 octahedra and corners with two equivalent V(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 38-62°. The Li(1)-F(1) bond length is 1.94 Å. The Li(1)-F(2) bond length is 1.88 Å. The Li(1)-F(3) bond length is 1.96 Å. The Li(1)-F(5) bond length is 1.86 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(4) atoms to form VF6 octahedra that share corners with two equivalent V(2)F6 octahedra and corners with four equivalent Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles are 40°. Both V(1)-F(1) bond lengths are 1.85 Å. Both V(1)-F(2) bond lengths are 1.89 Å. Both V(1)-F(4) bond lengths are 1.95 Å. In the second V site, V(2) is bonded to two equivalent F(3), two equivalent F(4), and two equivalent F(5) atoms to form VF6 octahedra that share corners with two equivalent V(1)F6 octahedra and corners with four equivalent Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles are 40°. Both V(2)-F(3) bond lengths are 1.84 Å. Both V(2)-F(4) bond lengths are 1.98 Å. Both V(2)-F(5) bond lengths are 1.88 Å. There are five inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Li(1) and one V(1) atom. In the third F site, F(3) is bonded in a bent 120 degrees geometry to one Li(1) and one V(2) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the fifth F site, F(5) is bonded in a bent 120 degrees geometry to one Li(1) and one V(2) atom.