FVO2 crystallizes in the triclinic P1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(5), one O(7), one F(2), and one F(4) atom. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(6), one F(1), and one F(4) atom. In the third V site, V(3) is bonded to one O(3), one O(4), one O(6), one O(8), one F(1), and one F(3) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 7-37°. In the fourth V site, V(4) is bonded to one O(3), one O(5), one O(7), one O(8), one F(2), and one F(3) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 7-37°. There are eight 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 distorted single-bond 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(3) and one V(4) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one V(2) and one V(3) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(4) atom. In the sixth O site, O(6) is bonded in a linear geometry to one V(2) and one V(3) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the eighth O site, O(8) is bonded in a linear geometry to one V(3) and one V(4) 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 linear geometry to one V(1) and one V(4) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) 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.
FVO2 crystallizes in the triclinic P1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(5), one O(7), one F(2), and one F(4) atom. The V(1)-O(1) bond length is 1.99 Å. The V(1)-O(2) bond length is 1.64 Å. The V(1)-O(5) bond length is 2.27 Å. The V(1)-O(7) bond length is 1.74 Å. The V(1)-F(2) bond length is 1.96 Å. The V(1)-F(4) bond length is 1.94 Å. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(6), one F(1), and one F(4) atom. The V(2)-O(1) bond length is 1.70 Å. The V(2)-O(2) bond length is 2.30 Å. The V(2)-O(4) bond length is 1.66 Å. The V(2)-O(6) bond length is 1.84 Å. The V(2)-F(1) bond length is 2.07 Å. The V(2)-F(4) bond length is 2.04 Å. In the third V site, V(3) is bonded to one O(3), one O(4), one O(6), one O(8), one F(1), and one F(3) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 7-37°. The V(3)-O(3) bond length is 1.65 Å. The V(3)-O(4) bond length is 2.21 Å. The V(3)-O(6) bond length is 1.74 Å. The V(3)-O(8) bond length is 1.84 Å. The V(3)-F(1) bond length is 1.95 Å. The V(3)-F(3) bond length is 2.13 Å. In the fourth V site, V(4) is bonded to one O(3), one O(5), one O(7), one O(8), one F(2), and one F(3) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 7-37°. The V(4)-O(3) bond length is 2.26 Å. The V(4)-O(5) bond length is 1.64 Å. The V(4)-O(7) bond length is 1.94 Å. The V(4)-O(8) bond length is 1.77 Å. The V(4)-F(2) bond length is 1.98 Å. The V(4)-F(3) bond length is 1.89 Å. There are eight 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 distorted single-bond 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(3) and one V(4) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one V(2) and one V(3) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(4) atom. In the sixth O site, O(6) is bonded in a linear geometry to one V(2) and one V(3) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the eighth O site, O(8) is bonded in a linear geometry to one V(3) and one V(4) 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 linear geometry to one V(1) and one V(4) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) 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.