VOF2 crystallizes in the triclinic P-1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), one F(1), one F(2), one F(3), and one F(6) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 20-38°. In the second V site, V(2) is bonded to one O(1), one O(2), one F(3), one F(4), one F(5), and one F(6) atom to form distorted corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 20-38°. In the third V site, V(3) is bonded to two equivalent O(3), two equivalent F(1), and two equivalent F(2) atoms to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 24-33°. In the fourth V site, V(4) is bonded to two equivalent O(1), two equivalent F(4), and two equivalent F(5) atoms to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 21-30°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. There are six 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(3) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) 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. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the sixth F site, F(6) 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 four inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), one F(1), one F(2), one F(3), and one F(6) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 20-38°. The V(1)-O(2) bond length is 2.04 Å. The V(1)-O(3) bond length is 1.69 Å. The V(1)-F(1) bond length is 1.97 Å. The V(1)-F(2) bond length is 1.97 Å. The V(1)-F(3) bond length is 1.96 Å. The V(1)-F(6) bond length is 2.01 Å. In the second V site, V(2) is bonded to one O(1), one O(2), one F(3), one F(4), one F(5), and one F(6) atom to form distorted corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 20-38°. The V(2)-O(1) bond length is 1.69 Å. The V(2)-O(2) bond length is 1.68 Å. The V(2)-F(3) bond length is 2.07 Å. The V(2)-F(4) bond length is 1.91 Å. The V(2)-F(5) bond length is 2.08 Å. The V(2)-F(6) bond length is 1.94 Å. In the third V site, V(3) is bonded to two equivalent O(3), two equivalent F(1), and two equivalent F(2) atoms to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 24-33°. Both V(3)-O(3) bond lengths are 1.95 Å. Both V(3)-F(1) bond lengths are 2.00 Å. Both V(3)-F(2) bond lengths are 1.98 Å. In the fourth V site, V(4) is bonded to two equivalent O(1), two equivalent F(4), and two equivalent F(5) atoms to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 21-30°. Both V(4)-O(1) bond lengths are 1.94 Å. Both V(4)-F(4) bond lengths are 2.03 Å. Both V(4)-F(5) bond lengths are 1.96 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(2) and one V(4) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. There are six 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(3) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) 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. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom.