Li6V2OF11 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one F(10), one F(3), one F(7), and one F(8) atom. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one F(1), one F(4), one F(6), one F(8), and one F(9) atom. In the third Li site, Li(3) is bonded in a 1-coordinate geometry to one O(1), one F(10), one F(3), one F(4), and one F(6) atom. In the fourth Li site, Li(4) is bonded in a rectangular see-saw-like geometry to one F(1), one F(3), one F(5), and one F(8) atom. In the fifth Li site, Li(5) is bonded in a 3-coordinate geometry to one O(1), one F(2), one F(4), and one F(9) atom. In the sixth Li site, Li(6) is bonded in a 2-coordinate geometry to one F(11), one F(7), one F(8), and one F(9) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one F(11), one F(4), one F(6), and one F(9) atom. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(1), one F(10), one F(2), one F(3), one F(5), and one F(7) atom. O(1) is bonded in a 4-coordinate geometry to one Li(3), one Li(5), one V(1), and one V(2) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a distorted water-like geometry to one Li(2) and one Li(4) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Li(5) and one V(2) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Li(4), and one V(2) atom. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Li(5), and one V(1) atom. In the fifth F site, F(5) is bonded in a 2-coordinate geometry to one Li(4) and one V(2) atom. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Li(2), one Li(3), and one V(1) atom. In the seventh F site, F(7) is bonded in a 3-coordinate geometry to one Li(1), one Li(6), and one V(2) atom. In the eighth F site, F(8) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Li(4), and one Li(6) atom. In the ninth F site, F(9) is bonded in a distorted tetrahedral geometry to one Li(2), one Li(5), one Li(6), and one V(1) atom. In the tenth F site, F(10) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Li(3), and one V(2) atom. In the eleventh F site, F(11) is bonded in a distorted water-like geometry to one Li(6) and one V(1) atom.
Li6V2OF11 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one F(10), one F(3), one F(7), and one F(8) atom. The Li(1)-F(10) bond length is 1.84 Å. The Li(1)-F(3) bond length is 2.28 Å. The Li(1)-F(7) bond length is 1.96 Å. The Li(1)-F(8) bond length is 1.74 Å. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one F(1), one F(4), one F(6), one F(8), and one F(9) atom. The Li(2)-F(1) bond length is 1.91 Å. The Li(2)-F(4) bond length is 2.30 Å. The Li(2)-F(6) bond length is 2.44 Å. The Li(2)-F(8) bond length is 2.24 Å. The Li(2)-F(9) bond length is 1.93 Å. In the third Li site, Li(3) is bonded in a 1-coordinate geometry to one O(1), one F(10), one F(3), one F(4), and one F(6) atom. The Li(3)-O(1) bond length is 2.12 Å. The Li(3)-F(10) bond length is 1.73 Å. The Li(3)-F(3) bond length is 2.38 Å. The Li(3)-F(4) bond length is 2.38 Å. The Li(3)-F(6) bond length is 2.17 Å. In the fourth Li site, Li(4) is bonded in a rectangular see-saw-like geometry to one F(1), one F(3), one F(5), and one F(8) atom. The Li(4)-F(1) bond length is 1.92 Å. The Li(4)-F(3) bond length is 1.79 Å. The Li(4)-F(5) bond length is 2.14 Å. The Li(4)-F(8) bond length is 1.95 Å. In the fifth Li site, Li(5) is bonded in a 3-coordinate geometry to one O(1), one F(2), one F(4), and one F(9) atom. The Li(5)-O(1) bond length is 2.34 Å. The Li(5)-F(2) bond length is 1.65 Å. The Li(5)-F(4) bond length is 2.01 Å. The Li(5)-F(9) bond length is 1.92 Å. In the sixth Li site, Li(6) is bonded in a 2-coordinate geometry to one F(11), one F(7), one F(8), and one F(9) atom. The Li(6)-F(11) bond length is 1.94 Å. The Li(6)-F(7) bond length is 2.37 Å. The Li(6)-F(8) bond length is 1.69 Å. The Li(6)-F(9) bond length is 2.23 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one F(11), one F(4), one F(6), and one F(9) atom. The V(1)-O(1) bond length is 1.57 Å. The V(1)-F(11) bond length is 1.69 Å. The V(1)-F(4) bond length is 2.45 Å. The V(1)-F(6) bond length is 1.98 Å. The V(1)-F(9) bond length is 1.93 Å. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(1), one F(10), one F(2), one F(3), one F(5), and one F(7) atom. The V(2)-O(1) bond length is 2.29 Å. The V(2)-F(10) bond length is 2.35 Å. The V(2)-F(2) bond length is 1.76 Å. The V(2)-F(3) bond length is 1.80 Å. The V(2)-F(5) bond length is 2.10 Å. The V(2)-F(7) bond length is 2.37 Å. O(1) is bonded in a 4-coordinate geometry to one Li(3), one Li(5), one V(1), and one V(2) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a distorted water-like geometry to one Li(2) and one Li(4) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Li(5) and one V(2) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Li(4), and one V(2) atom. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Li(5), and one V(1) atom. In the fifth F site, F(5) is bonded in a 2-coordinate geometry to one Li(4) and one V(2) atom. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Li(2), one Li(3), and one V(1) atom. In the seventh F site, F(7) is bonded in a 3-coordinate geometry to one Li(1), one Li(6), and one V(2) atom. In the eighth F site, F(8) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Li(4), and one Li(6) atom. In the ninth F site, F(9) is bonded in a distorted tetrahedral geometry to one Li(2), one Li(5), one Li(6), and one V(1) atom. In the tenth F site, F(10) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Li(3), and one V(2) atom. In the eleventh F site, F(11) is bonded in a distorted water-like geometry to one Li(6) and one V(1) atom.