V2(OF)3 crystallizes in the monoclinic C2 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(4), one F(1), and two equivalent F(2) atoms to form corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 17-34°. In the second V site, V(2) is bonded to one O(2), one O(3), one O(4), one F(1), and two equivalent F(3) atoms to form distorted corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 17-37°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent V(2) atoms. In the third O site, O(3) is bonded in a linear 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(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 two equivalent V(1) atoms. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to two equivalent V(2) atoms.
V2(OF)3 crystallizes in the monoclinic C2 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(4), one F(1), and two equivalent F(2) atoms to form corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 17-34°. The V(1)-O(1) bond length is 1.82 Å. The V(1)-O(3) bond length is 1.79 Å. The V(1)-O(4) bond length is 2.00 Å. The V(1)-F(1) bond length is 2.01 Å. Both V(1)-F(2) bond lengths are 1.98 Å. In the second V site, V(2) is bonded to one O(2), one O(3), one O(4), one F(1), and two equivalent F(3) atoms to form distorted corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 17-37°. The V(2)-O(2) bond length is 1.82 Å. The V(2)-O(3) bond length is 1.84 Å. The V(2)-O(4) bond length is 1.66 Å. The V(2)-F(1) bond length is 1.96 Å. There is one shorter (1.85 Å) and one longer (2.29 Å) V(2)-F(3) bond length. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent V(2) atoms. In the third O site, O(3) is bonded in a linear 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(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 two equivalent V(1) atoms. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to two equivalent V(2) atoms.