V2(OF)3 crystallizes in the triclinic P1 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one F(1), one F(2), and one F(3) atom to form distorted corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 17-37°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one F(1), one F(2), and one F(3) atom to form distorted corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 17-37°. There are three 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(2) atom. In the second O site, O(2) is bonded in a linear geometry to one V(1) and one V(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(2) atom. 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 bent 150 degrees geometry to one V(1) and one V(2) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom.
V2(OF)3 crystallizes in the triclinic P1 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one F(1), one F(2), and one F(3) atom to form distorted corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 17-37°. The V(1)-O(1) bond length is 2.14 Å. The V(1)-O(2) bond length is 1.96 Å. The V(1)-O(3) bond length is 1.66 Å. The V(1)-F(1) bond length is 1.99 Å. The V(1)-F(2) bond length is 1.97 Å. The V(1)-F(3) bond length is 2.01 Å. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one F(1), one F(2), and one F(3) atom to form distorted corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 17-37°. The V(2)-O(1) bond length is 1.67 Å. The V(2)-O(2) bond length is 1.69 Å. The V(2)-O(3) bond length is 2.15 Å. The V(2)-F(1) bond length is 1.94 Å. The V(2)-F(2) bond length is 2.06 Å. The V(2)-F(3) bond length is 1.93 Å. There are three 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(2) atom. In the second O site, O(2) is bonded in a linear geometry to one V(1) and one V(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(2) atom. 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 bent 150 degrees geometry to one V(1) and one V(2) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom.