LiV3(O2F)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a distorted bent 120 degrees geometry to one V(2), one O(1), one O(2), and one F(1) atom. There are three inequivalent V sites. In the first V site, V(1) is bonded in a 2-coordinate geometry to one O(4) and one F(2) atom. In the second V site, V(2) is bonded in a 7-coordinate geometry to one Li(1), one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom. In the third V site, V(3) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), one F(1), and one F(2) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Li(1), one V(2), and one V(3) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Li(1), one V(2), and one V(3) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one V(2) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one V(1), one V(2), and one V(3) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Li(1), one V(2), and one V(3) atom. In the second F site, F(2) is bonded in a 2-coordinate geometry to one V(1), one V(2), and one V(3) atom.
LiV3(O2F)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a distorted bent 120 degrees geometry to one V(2), one O(1), one O(2), and one F(1) atom. The Li(1)-V(2) bond length is 2.34 Å. The Li(1)-O(1) bond length is 1.86 Å. The Li(1)-O(2) bond length is 1.32 Å. The Li(1)-F(1) bond length is 2.52 Å. There are three inequivalent V sites. In the first V site, V(1) is bonded in a 2-coordinate geometry to one O(4) and one F(2) atom. The V(1)-O(4) bond length is 1.17 Å. The V(1)-F(2) bond length is 1.50 Å. In the second V site, V(2) is bonded in a 7-coordinate geometry to one Li(1), one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom. The V(2)-O(1) bond length is 2.67 Å. The V(2)-O(2) bond length is 2.06 Å. The V(2)-O(3) bond length is 1.91 Å. The V(2)-O(4) bond length is 1.89 Å. The V(2)-F(1) bond length is 2.47 Å. The V(2)-F(2) bond length is 1.95 Å. In the third V site, V(3) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), one F(1), and one F(2) atom. The V(3)-O(1) bond length is 1.71 Å. The V(3)-O(2) bond length is 2.25 Å. The V(3)-O(4) bond length is 1.78 Å. The V(3)-F(1) bond length is 2.19 Å. The V(3)-F(2) bond length is 2.41 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Li(1), one V(2), and one V(3) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Li(1), one V(2), and one V(3) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one V(2) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one V(1), one V(2), and one V(3) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Li(1), one V(2), and one V(3) atom. In the second F site, F(2) is bonded in a 2-coordinate geometry to one V(1), one V(2), and one V(3) atom.