Li3V4O7F5 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(5), one F(1), one F(3), and one F(4) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(4), one O(6), one O(7), and one F(5) atom. In the third Li site, Li(3) is bonded in a 2-coordinate geometry to one O(4), one O(5), one F(3), and one F(5) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 4-coordinate geometry to one O(2), one O(6), one O(7), one F(2), and one F(5) atom. In the second V site, V(2) is bonded in a 3-coordinate geometry to one O(1), one O(3), one O(4), one F(3), and one F(4) atom. In the third V site, V(3) is bonded in a 2-coordinate geometry to one O(2), one O(5), one O(6), and one F(4) atom. In the fourth V site, V(4) is bonded in a 2-coordinate geometry to one O(1), one O(4), one O(7), one F(2), one F(3), and one F(5) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one V(2) and one V(4) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one V(1) 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 4-coordinate geometry to one Li(2), one Li(3), one V(2), and one V(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Li(3), and one V(3) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(2), one V(1), and one V(3) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Li(2), one V(1), and one V(4) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Li(1) atom. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(4) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one V(2), and one V(4) atom. In the fourth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(2), and one V(3) atom. In the fifth F site, F(5) is bonded in a distorted single-bond geometry to one Li(2), one Li(3), one V(1), and one V(4) atom.
Li3V4O7F5 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(5), one F(1), one F(3), and one F(4) atom. The Li(1)-O(5) bond length is 2.19 Å. The Li(1)-F(1) bond length is 1.74 Å. The Li(1)-F(3) bond length is 1.95 Å. The Li(1)-F(4) bond length is 2.07 Å. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(4), one O(6), one O(7), and one F(5) atom. The Li(2)-O(4) bond length is 1.81 Å. The Li(2)-O(6) bond length is 2.24 Å. The Li(2)-O(7) bond length is 2.31 Å. The Li(2)-F(5) bond length is 2.02 Å. In the third Li site, Li(3) is bonded in a 2-coordinate geometry to one O(4), one O(5), one F(3), and one F(5) atom. The Li(3)-O(4) bond length is 1.90 Å. The Li(3)-O(5) bond length is 2.26 Å. The Li(3)-F(3) bond length is 2.00 Å. The Li(3)-F(5) bond length is 2.48 Å. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 4-coordinate geometry to one O(2), one O(6), one O(7), one F(2), and one F(5) atom. The V(1)-O(2) bond length is 1.71 Å. The V(1)-O(6) bond length is 2.05 Å. The V(1)-O(7) bond length is 1.61 Å. The V(1)-F(2) bond length is 2.05 Å. The V(1)-F(5) bond length is 2.61 Å. In the second V site, V(2) is bonded in a 3-coordinate geometry to one O(1), one O(3), one O(4), one F(3), and one F(4) atom. The V(2)-O(1) bond length is 1.57 Å. The V(2)-O(3) bond length is 1.73 Å. The V(2)-O(4) bond length is 2.48 Å. The V(2)-F(3) bond length is 2.32 Å. The V(2)-F(4) bond length is 1.75 Å. In the third V site, V(3) is bonded in a 2-coordinate geometry to one O(2), one O(5), one O(6), and one F(4) atom. The V(3)-O(2) bond length is 1.54 Å. The V(3)-O(5) bond length is 2.17 Å. The V(3)-O(6) bond length is 2.00 Å. The V(3)-F(4) bond length is 1.72 Å. In the fourth V site, V(4) is bonded in a 2-coordinate geometry to one O(1), one O(4), one O(7), one F(2), one F(3), and one F(5) atom. The V(4)-O(1) bond length is 1.60 Å. The V(4)-O(4) bond length is 2.29 Å. The V(4)-O(7) bond length is 1.52 Å. The V(4)-F(2) bond length is 2.19 Å. The V(4)-F(3) bond length is 2.20 Å. The V(4)-F(5) bond length is 2.56 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one V(2) and one V(4) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one V(1) 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 4-coordinate geometry to one Li(2), one Li(3), one V(2), and one V(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Li(3), and one V(3) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(2), one V(1), and one V(3) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Li(2), one V(1), and one V(4) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Li(1) atom. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(4) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one V(2), and one V(4) atom. In the fourth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(2), and one V(3) atom. In the fifth F site, F(5) is bonded in a distorted single-bond geometry to one Li(2), one Li(3), one V(1), and one V(4) atom.