V4O5F7 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(1), one O(3), one O(5), one F(2), one F(3), and one F(4) atom to form VO3F3 octahedra that share corners with three equivalent V(4)O2F4 octahedra and corners with three equivalent V(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 20-31°. In the second V site, V(2) is bonded to one O(2), one O(3), one O(5), one F(1), one F(4), and one F(6) atom to form VO3F3 octahedra that share corners with three equivalent V(3)O2F4 octahedra and corners with three equivalent V(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 20-34°. In the third V site, V(3) is bonded to one O(2), one O(4), one F(1), one F(5), one F(6), and one F(7) atom to form distorted VO2F4 octahedra that share corners with three equivalent V(4)O2F4 octahedra and corners with three equivalent V(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 26-39°. In the fourth V site, V(4) is bonded to one O(1), one O(4), one F(2), one F(3), one F(5), and one F(7) atom to form VO2F4 octahedra that share corners with three equivalent V(3)O2F4 octahedra and corners with three equivalent V(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 25-39°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) 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 bent 150 degrees geometry to one V(3) and one V(4) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) 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(4) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom.
V4O5F7 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(1), one O(3), one O(5), one F(2), one F(3), and one F(4) atom to form VO3F3 octahedra that share corners with three equivalent V(4)O2F4 octahedra and corners with three equivalent V(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 20-31°. The V(1)-O(1) bond length is 1.91 Å. The V(1)-O(3) bond length is 1.66 Å. The V(1)-O(5) bond length is 1.94 Å. The V(1)-F(2) bond length is 2.01 Å. The V(1)-F(3) bond length is 1.92 Å. The V(1)-F(4) bond length is 1.94 Å. In the second V site, V(2) is bonded to one O(2), one O(3), one O(5), one F(1), one F(4), and one F(6) atom to form VO3F3 octahedra that share corners with three equivalent V(3)O2F4 octahedra and corners with three equivalent V(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 20-34°. The V(2)-O(2) bond length is 1.93 Å. The V(2)-O(3) bond length is 1.91 Å. The V(2)-O(5) bond length is 1.65 Å. The V(2)-F(1) bond length is 2.09 Å. The V(2)-F(4) bond length is 1.94 Å. The V(2)-F(6) bond length is 1.89 Å. In the third V site, V(3) is bonded to one O(2), one O(4), one F(1), one F(5), one F(6), and one F(7) atom to form distorted VO2F4 octahedra that share corners with three equivalent V(4)O2F4 octahedra and corners with three equivalent V(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 26-39°. The V(3)-O(2) bond length is 1.66 Å. The V(3)-O(4) bond length is 1.67 Å. The V(3)-F(1) bond length is 1.88 Å. The V(3)-F(5) bond length is 1.88 Å. The V(3)-F(6) bond length is 2.08 Å. The V(3)-F(7) bond length is 2.05 Å. In the fourth V site, V(4) is bonded to one O(1), one O(4), one F(2), one F(3), one F(5), and one F(7) atom to form VO2F4 octahedra that share corners with three equivalent V(3)O2F4 octahedra and corners with three equivalent V(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 25-39°. The V(4)-O(1) bond length is 1.66 Å. The V(4)-O(4) bond length is 1.91 Å. The V(4)-F(2) bond length is 1.93 Å. The V(4)-F(3) bond length is 1.97 Å. The V(4)-F(5) bond length is 2.07 Å. The V(4)-F(7) bond length is 1.90 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) 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 bent 150 degrees geometry to one V(3) and one V(4) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) 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(4) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom.