V4O7F5 crystallizes in the triclinic P1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(4), one O(5), one F(1), one F(3), and one F(5) atom to form distorted VO3F3 octahedra that share corners with two equivalent V(2)O4F2 octahedra and corners with four equivalent V(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 17-31°. In the second V site, V(2) is bonded to one O(2), one O(3), one O(4), one O(6), one F(2), and one F(4) atom to form distorted VO4F2 octahedra that share corners with two equivalent V(1)O3F3 octahedra and corners with four equivalent V(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 17-39°. In the third V site, V(3) is bonded to one O(1), one O(5), one O(7), one F(1), one F(3), and one F(5) atom to form VO3F3 octahedra that share corners with two equivalent V(4)O4F2 octahedra and corners with four equivalent V(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 19-31°. In the fourth V site, V(4) is bonded to one O(1), one O(2), one O(6), one O(7), one F(2), and one F(4) atom to form distorted VO4F2 octahedra that share corners with two equivalent V(3)O3F3 octahedra and corners with four equivalent V(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 19-39°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one V(3) and one V(4) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one V(2) and one V(4) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one V(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one V(2) and one V(4) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(2) 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(3) atom.
V4O7F5 crystallizes in the triclinic P1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(4), one O(5), one F(1), one F(3), and one F(5) atom to form distorted VO3F3 octahedra that share corners with two equivalent V(2)O4F2 octahedra and corners with four equivalent V(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 17-31°. The V(1)-O(3) bond length is 1.67 Å. The V(1)-O(4) bond length is 2.11 Å. The V(1)-O(5) bond length is 1.70 Å. The V(1)-F(1) bond length is 1.92 Å. The V(1)-F(3) bond length is 2.05 Å. The V(1)-F(5) bond length is 1.95 Å. In the second V site, V(2) is bonded to one O(2), one O(3), one O(4), one O(6), one F(2), and one F(4) atom to form distorted VO4F2 octahedra that share corners with two equivalent V(1)O3F3 octahedra and corners with four equivalent V(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 17-39°. The V(2)-O(2) bond length is 2.19 Å. The V(2)-O(3) bond length is 2.10 Å. The V(2)-O(4) bond length is 1.68 Å. The V(2)-O(6) bond length is 1.67 Å. The V(2)-F(2) bond length is 1.96 Å. The V(2)-F(4) bond length is 1.95 Å. In the third V site, V(3) is bonded to one O(1), one O(5), one O(7), one F(1), one F(3), and one F(5) atom to form VO3F3 octahedra that share corners with two equivalent V(4)O4F2 octahedra and corners with four equivalent V(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 19-31°. The V(3)-O(1) bond length is 2.09 Å. The V(3)-O(5) bond length is 1.97 Å. The V(3)-O(7) bond length is 1.68 Å. The V(3)-F(1) bond length is 2.01 Å. The V(3)-F(3) bond length is 1.99 Å. The V(3)-F(5) bond length is 1.97 Å. In the fourth V site, V(4) is bonded to one O(1), one O(2), one O(6), one O(7), one F(2), and one F(4) atom to form distorted VO4F2 octahedra that share corners with two equivalent V(3)O3F3 octahedra and corners with four equivalent V(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 19-39°. The V(4)-O(1) bond length is 1.69 Å. The V(4)-O(2) bond length is 1.67 Å. The V(4)-O(6) bond length is 2.20 Å. The V(4)-O(7) bond length is 2.09 Å. The V(4)-F(2) bond length is 1.95 Å. The V(4)-F(4) bond length is 1.95 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one V(3) and one V(4) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one V(2) and one V(4) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one V(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one V(2) and one V(4) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(2) 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(3) atom.