FVO2 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 O(3), and two equivalent F(2) atoms to form corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 12-32°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 12-35°. In the third V site, V(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent F(1) atoms to form corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 21-35°. There are four 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. 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(2) and one V(3) atom. There are two 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.
FVO2 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 O(3), and two equivalent F(2) atoms to form corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 12-32°. Both V(1)-O(1) bond lengths are 1.92 Å. Both V(1)-O(3) bond lengths are 1.78 Å. Both V(1)-F(2) bond lengths are 1.90 Å. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(4), one F(1), and one F(2) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 12-35°. The V(2)-O(1) bond length is 1.72 Å. The V(2)-O(2) bond length is 1.72 Å. The V(2)-O(3) bond length is 1.87 Å. The V(2)-O(4) bond length is 1.85 Å. The V(2)-F(1) bond length is 2.21 Å. The V(2)-F(2) bond length is 2.14 Å. In the third V site, V(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent F(1) atoms to form corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 21-35°. Both V(3)-O(2) bond lengths are 1.91 Å. Both V(3)-O(4) bond lengths are 1.80 Å. Both V(3)-F(1) bond lengths are 1.89 Å. There are four 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. 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(2) and one V(3) atom. There are two 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.