VOF2 crystallizes in the triclinic P-1 space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent F(2), and two equivalent F(4) atoms to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 22-38°. In the second V site, V(2) is bonded to one O(1), one O(2), one F(1), one F(2), one F(3), and one F(4) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 22-38°. In the third V site, V(3) is bonded to two equivalent O(2), two equivalent F(1), and two equivalent F(3) atoms to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 23-33°. There are two 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 bent 150 degrees geometry to one V(2) and one V(3) atom. There are four 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(2) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) 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.
VOF2 crystallizes in the triclinic P-1 space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent F(2), and two equivalent F(4) atoms to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 22-38°. Both V(1)-O(1) bond lengths are 1.94 Å. Both V(1)-F(2) bond lengths are 2.04 Å. Both V(1)-F(4) bond lengths are 1.95 Å. In the second V site, V(2) is bonded to one O(1), one O(2), one F(1), one F(2), one F(3), and one F(4) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 22-38°. The V(2)-O(1) bond length is 1.69 Å. The V(2)-O(2) bond length is 1.70 Å. The V(2)-F(1) bond length is 2.05 Å. The V(2)-F(2) bond length is 1.91 Å. The V(2)-F(3) bond length is 1.92 Å. The V(2)-F(4) bond length is 2.07 Å. In the third V site, V(3) is bonded to two equivalent O(2), two equivalent F(1), and two equivalent F(3) atoms to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 23-33°. Both V(3)-O(2) bond lengths are 1.94 Å. Both V(3)-F(1) bond lengths are 1.96 Å. Both V(3)-F(3) bond lengths are 2.02 Å. There are two 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 bent 150 degrees geometry to one V(2) and one V(3) atom. There are four 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(2) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) 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.