LiV2OF5 is beta Vanadium nitride-derived structured and crystallizes in the trigonal P3_2 space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(5) atom. There are two inequivalent V sites. In the first V site, 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 corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 26-45°. In the second V site, V(2) 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 corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 26-45°. O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one V(2) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a T-shaped geometry to one Li(1), one V(1), and one V(2) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one V(2) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one V(2) atom. In the fourth F site, F(4) is bonded in a T-shaped geometry to one Li(1), one V(1), and one V(2) atom. In the fifth F site, F(5) is bonded in a T-shaped geometry to one Li(1), one V(1), and one V(2) atom.
LiV2OF5 is beta Vanadium nitride-derived structured and crystallizes in the trigonal P3_2 space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(5) atom. The Li(1)-O(1) bond length is 2.00 Å. The Li(1)-F(1) bond length is 2.15 Å. The Li(1)-F(2) bond length is 1.99 Å. The Li(1)-F(3) bond length is 2.02 Å. The Li(1)-F(4) bond length is 2.26 Å. The Li(1)-F(5) bond length is 2.30 Å. There are two inequivalent V sites. In the first V site, 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 corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 26-45°. The V(1)-O(1) bond length is 1.86 Å. The V(1)-F(1) bond length is 2.03 Å. The V(1)-F(2) bond length is 2.03 Å. The V(1)-F(3) bond length is 2.09 Å. The V(1)-F(4) bond length is 2.03 Å. The V(1)-F(5) bond length is 2.00 Å. In the second V site, V(2) 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 corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 26-45°. The V(2)-O(1) bond length is 1.86 Å. The V(2)-F(1) bond length is 2.05 Å. The V(2)-F(2) bond length is 2.08 Å. The V(2)-F(3) bond length is 2.01 Å. The V(2)-F(4) bond length is 2.04 Å. The V(2)-F(5) bond length is 2.01 Å. O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one V(2) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a T-shaped geometry to one Li(1), one V(1), and one V(2) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one V(2) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one V(2) atom. In the fourth F site, F(4) is bonded in a T-shaped geometry to one Li(1), one V(1), and one V(2) atom. In the fifth F site, F(5) is bonded in a T-shaped geometry to one Li(1), one V(1), and one V(2) atom.