V4O7F5 crystallizes in the monoclinic P2 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), one O(4), one F(1), one F(2), and one F(3) atom to form distorted VO3F3 octahedra that share corners with two equivalent V(1)O3F3 octahedra and corners with four equivalent V(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 15-45°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(4), one O(5), one F(1), and one F(3) atom to form distorted VO4F2 octahedra that share corners with two equivalent V(2)O4F2 octahedra and corners with four equivalent V(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 12-41°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent V(2) atoms. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(2) atom. In the third O site, O(3) is bonded in a linear geometry to two equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a linear geometry to two equivalent V(2) atoms. There are three 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(2) atom. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to two equivalent V(1) atoms. In the third F site, F(3) is bonded in a linear geometry to one V(1) and one V(2) atom.
V4O7F5 crystallizes in the monoclinic P2 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), one O(4), one F(1), one F(2), and one F(3) atom to form distorted VO3F3 octahedra that share corners with two equivalent V(1)O3F3 octahedra and corners with four equivalent V(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 15-45°. The V(1)-O(2) bond length is 1.65 Å. The V(1)-O(3) bond length is 1.78 Å. The V(1)-O(4) bond length is 2.25 Å. The V(1)-F(1) bond length is 2.00 Å. The V(1)-F(2) bond length is 1.97 Å. The V(1)-F(3) bond length is 1.95 Å. In the second V site, V(2) is bonded to one O(1), one O(2), one O(4), one O(5), one F(1), and one F(3) atom to form distorted VO4F2 octahedra that share corners with two equivalent V(2)O4F2 octahedra and corners with four equivalent V(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 12-41°. The V(2)-O(1) bond length is 1.84 Å. The V(2)-O(2) bond length is 2.28 Å. The V(2)-O(4) bond length is 1.65 Å. The V(2)-O(5) bond length is 1.83 Å. The V(2)-F(1) bond length is 1.96 Å. The V(2)-F(3) bond length is 1.99 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent V(2) atoms. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(2) atom. In the third O site, O(3) is bonded in a linear geometry to two equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a linear geometry to two equivalent V(2) atoms. There are three 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(2) atom. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to two equivalent V(1) atoms. In the third F site, F(3) is bonded in a linear geometry to one V(1) and one V(2) atom.