LiV4OF11 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), one F(1), one F(10), one F(3), one F(6), and one F(9) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded to one F(1), one F(10), one F(11), one F(2), one F(5), and one F(8) atom to form VF6 octahedra that share corners with two equivalent V(4)OF5 octahedra and corners with four equivalent V(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 34-42°. In the second V site, V(2) is bonded to one F(10), one F(2), one F(5), one F(6), one F(7), and one F(8) atom to form VF6 octahedra that share corners with two equivalent V(3)OF5 octahedra and corners with four equivalent V(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 31-42°. In the third V site, V(3) is bonded to one O(1), one F(3), one F(4), one F(6), one F(7), and one F(9) atom to form VOF5 octahedra that share corners with two equivalent V(2)F6 octahedra and corners with four equivalent V(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 28-41°. In the fourth V site, V(4) is bonded to one O(1), one F(1), one F(11), one F(3), one F(4), and one F(9) atom to form VOF5 octahedra that share corners with two equivalent V(1)F6 octahedra and corners with four equivalent V(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 28-37°. O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(3), and one V(4) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one V(4) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the third F site, F(3) is bonded in a T-shaped geometry to one Li(1), one V(3), and one V(4) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one V(3) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the ninth F site, F(9) is bonded in a T-shaped geometry to one Li(1), one V(3), and one V(4) atom. In the tenth F site, F(10) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one V(2) atom. In the eleventh F site, F(11) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom.
LiV4OF11 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), one F(1), one F(10), one F(3), one F(6), and one F(9) atom. The Li(1)-O(1) bond length is 2.02 Å. The Li(1)-F(1) bond length is 2.39 Å. The Li(1)-F(10) bond length is 2.09 Å. The Li(1)-F(3) bond length is 2.12 Å. The Li(1)-F(6) bond length is 2.06 Å. The Li(1)-F(9) bond length is 2.10 Å. There are four inequivalent V sites. In the first V site, V(1) is bonded to one F(1), one F(10), one F(11), one F(2), one F(5), and one F(8) atom to form VF6 octahedra that share corners with two equivalent V(4)OF5 octahedra and corners with four equivalent V(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 34-42°. The V(1)-F(1) bond length is 1.95 Å. The V(1)-F(10) bond length is 2.06 Å. The V(1)-F(11) bond length is 1.92 Å. The V(1)-F(2) bond length is 1.99 Å. The V(1)-F(5) bond length is 1.98 Å. The V(1)-F(8) bond length is 1.98 Å. In the second V site, V(2) is bonded to one F(10), one F(2), one F(5), one F(6), one F(7), and one F(8) atom to form VF6 octahedra that share corners with two equivalent V(3)OF5 octahedra and corners with four equivalent V(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 31-42°. The V(2)-F(10) bond length is 2.04 Å. The V(2)-F(2) bond length is 1.99 Å. The V(2)-F(5) bond length is 1.96 Å. The V(2)-F(6) bond length is 2.00 Å. The V(2)-F(7) bond length is 1.94 Å. The V(2)-F(8) bond length is 1.96 Å. In the third V site, V(3) is bonded to one O(1), one F(3), one F(4), one F(6), one F(7), and one F(9) atom to form VOF5 octahedra that share corners with two equivalent V(2)F6 octahedra and corners with four equivalent V(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 28-41°. The V(3)-O(1) bond length is 1.85 Å. The V(3)-F(3) bond length is 2.04 Å. The V(3)-F(4) bond length is 2.01 Å. The V(3)-F(6) bond length is 2.09 Å. The V(3)-F(7) bond length is 2.00 Å. The V(3)-F(9) bond length is 2.04 Å. In the fourth V site, V(4) is bonded to one O(1), one F(1), one F(11), one F(3), one F(4), and one F(9) atom to form VOF5 octahedra that share corners with two equivalent V(1)F6 octahedra and corners with four equivalent V(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 28-37°. The V(4)-O(1) bond length is 1.86 Å. The V(4)-F(1) bond length is 2.07 Å. The V(4)-F(11) bond length is 2.04 Å. The V(4)-F(3) bond length is 2.08 Å. The V(4)-F(4) bond length is 1.96 Å. The V(4)-F(9) bond length is 2.01 Å. O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(3), and one V(4) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one V(4) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the third F site, F(3) is bonded in a T-shaped geometry to one Li(1), one V(3), and one V(4) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one V(3) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the ninth F site, F(9) is bonded in a T-shaped geometry to one Li(1), one V(3), and one V(4) atom. In the tenth F site, F(10) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one V(2) atom. In the eleventh F site, F(11) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom.