(LiV4O4F7)2O2 crystallizes in the triclinic P1 space group. The structure consists of one water atom inside a LiV4O4F7 framework. In the LiV4O4F7 framework, Li(1) is bonded in a 5-coordinate geometry to one V(3), one O(1), one O(5), one F(1), and one F(3) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded in a linear geometry to one O(2) and one F(7) atom. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(2), one O(4), one F(1), one F(4), and one F(6) atom. In the third V site, V(3) is bonded in a distorted bent 150 degrees geometry to one Li(1), one O(4), and one F(3) atom. In the fourth V site, V(4) is bonded in a 3-coordinate geometry to one O(1), one F(2), one F(3), one F(5), and one F(7) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Li(1), one V(4), and one F(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one V(1) and one V(2) atom. In the third O site, O(4) is bonded in a distorted bent 120 degrees geometry to one V(2) and one V(3) atom. In the fourth O site, O(5) is bonded in a distorted single-bond geometry to one Li(1) atom. There are seven inequivalent F sites. In the first F site, F(1) is bonded in an L-shaped geometry to one Li(1) and one V(2) atom. In the second F site, F(2) is bonded in a 2-coordinate geometry to one V(4) and one O(1) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Li(1), one V(3), and one V(4) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one V(2) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one V(4) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one V(2) atom. In the seventh F site, F(7) is bonded in a water-like geometry to one V(1) and one V(4) atom.
(LiV4O4F7)2O2 crystallizes in the triclinic P1 space group. The structure consists of one water atom inside a LiV4O4F7 framework. In the LiV4O4F7 framework, Li(1) is bonded in a 5-coordinate geometry to one V(3), one O(1), one O(5), one F(1), and one F(3) atom. The Li(1)-V(3) bond length is 2.18 Å. The Li(1)-O(1) bond length is 2.38 Å. The Li(1)-O(5) bond length is 2.19 Å. The Li(1)-F(1) bond length is 2.11 Å. The Li(1)-F(3) bond length is 2.11 Å. There are four inequivalent V sites. In the first V site, V(1) is bonded in a linear geometry to one O(2) and one F(7) atom. The V(1)-O(2) bond length is 1.15 Å. The V(1)-F(7) bond length is 1.44 Å. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(2), one O(4), one F(1), one F(4), and one F(6) atom. The V(2)-O(2) bond length is 1.47 Å. The V(2)-O(4) bond length is 2.02 Å. The V(2)-F(1) bond length is 2.53 Å. The V(2)-F(4) bond length is 1.97 Å. The V(2)-F(6) bond length is 2.22 Å. In the third V site, V(3) is bonded in a distorted bent 150 degrees geometry to one Li(1), one O(4), and one F(3) atom. The V(3)-O(4) bond length is 1.22 Å. The V(3)-F(3) bond length is 1.44 Å. In the fourth V site, V(4) is bonded in a 3-coordinate geometry to one O(1), one F(2), one F(3), one F(5), and one F(7) atom. The V(4)-O(1) bond length is 1.78 Å. The V(4)-F(2) bond length is 2.29 Å. The V(4)-F(3) bond length is 1.74 Å. The V(4)-F(5) bond length is 2.55 Å. The V(4)-F(7) bond length is 1.84 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Li(1), one V(4), and one F(2) atom. The O(1)-F(2) bond length is 1.91 Å. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one V(1) and one V(2) atom. In the third O site, O(4) is bonded in a distorted bent 120 degrees geometry to one V(2) and one V(3) atom. In the fourth O site, O(5) is bonded in a distorted single-bond geometry to one Li(1) atom. There are seven inequivalent F sites. In the first F site, F(1) is bonded in an L-shaped geometry to one Li(1) and one V(2) atom. In the second F site, F(2) is bonded in a 2-coordinate geometry to one V(4) and one O(1) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Li(1), one V(3), and one V(4) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one V(2) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one V(4) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one V(2) atom. In the seventh F site, F(7) is bonded in a water-like geometry to one V(1) and one V(4) atom.