V3O5F is beta Vanadium nitride-derived structured and crystallizes in the triclinic P1 space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one F(1) atom to form a mixture of distorted edge, face, and corner-sharing VO5F octahedra. The corner-sharing octahedral tilt angles range from 49-61°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one F(1) atom to form a mixture of face and corner-sharing VO5F octahedra. The corner-sharing octahedral tilt angles range from 29-61°. In the third V site, V(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one F(1) atom to form a mixture of edge and corner-sharing VO5F octahedra. The corner-sharing octahedral tilt angles range from 29-51°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one V(3) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one V(3) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(1), one V(2), and one V(3) atom. In the fourth O site, O(4) is bonded in a T-shaped geometry to one V(1), one V(2), and one V(3) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one V(1), one V(2), and one V(3) atom. F(1) is bonded in a T-shaped geometry to one V(1), one V(2), and one V(3) atom.
V3O5F is beta Vanadium nitride-derived structured and crystallizes in the triclinic P1 space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one F(1) atom to form a mixture of distorted edge, face, and corner-sharing VO5F octahedra. The corner-sharing octahedral tilt angles range from 49-61°. The V(1)-O(1) bond length is 1.76 Å. The V(1)-O(2) bond length is 1.95 Å. The V(1)-O(3) bond length is 1.98 Å. The V(1)-O(4) bond length is 1.95 Å. The V(1)-O(5) bond length is 2.01 Å. The V(1)-F(1) bond length is 2.17 Å. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one F(1) atom to form a mixture of face and corner-sharing VO5F octahedra. The corner-sharing octahedral tilt angles range from 29-61°. The V(2)-O(1) bond length is 2.04 Å. The V(2)-O(2) bond length is 1.97 Å. The V(2)-O(3) bond length is 2.03 Å. The V(2)-O(4) bond length is 2.01 Å. The V(2)-O(5) bond length is 2.08 Å. The V(2)-F(1) bond length is 2.19 Å. In the third V site, V(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one F(1) atom to form a mixture of edge and corner-sharing VO5F octahedra. The corner-sharing octahedral tilt angles range from 29-51°. The V(3)-O(1) bond length is 2.21 Å. The V(3)-O(2) bond length is 1.94 Å. The V(3)-O(3) bond length is 1.92 Å. The V(3)-O(4) bond length is 1.90 Å. The V(3)-O(5) bond length is 1.83 Å. The V(3)-F(1) bond length is 2.10 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one V(3) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one V(3) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(1), one V(2), and one V(3) atom. In the fourth O site, O(4) is bonded in a T-shaped geometry to one V(1), one V(2), and one V(3) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one V(1), one V(2), and one V(3) atom. F(1) is bonded in a T-shaped geometry to one V(1), one V(2), and one V(3) atom.