FVO2 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(1), one O(2), one O(4), one O(5), one F(2), and one F(3) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 19-35°. In the second V site, V(2) is bonded to one O(1), one O(3), one O(5), one O(6), one F(1), and one F(3) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 19-35°. In the third V site, V(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent F(2) atoms to form corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 31-35°. In the fourth V site, V(4) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent F(1) atoms to form corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 28-35°. There are six 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(1) and one V(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) 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(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) 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(2) and one V(4) 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 distorted bent 150 degrees geometry to one V(1) and one V(2) atom.
FVO2 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(1), one O(2), one O(4), one O(5), one F(2), and one F(3) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 19-35°. The V(1)-O(1) bond length is 1.72 Å. The V(1)-O(2) bond length is 1.73 Å. The V(1)-O(4) bond length is 1.94 Å. The V(1)-O(5) bond length is 2.12 Å. The V(1)-F(2) bond length is 2.00 Å. The V(1)-F(3) bond length is 1.86 Å. In the second V site, V(2) is bonded to one O(1), one O(3), one O(5), one O(6), one F(1), and one F(3) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 19-35°. The V(2)-O(1) bond length is 1.95 Å. The V(2)-O(3) bond length is 1.73 Å. The V(2)-O(5) bond length is 1.66 Å. The V(2)-O(6) bond length is 1.82 Å. The V(2)-F(1) bond length is 2.18 Å. The V(2)-F(3) bond length is 2.23 Å. In the third V site, V(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent F(2) atoms to form corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 31-35°. Both V(3)-O(2) bond lengths are 1.91 Å. Both V(3)-O(4) bond lengths are 1.78 Å. Both V(3)-F(2) bond lengths are 1.96 Å. In the fourth V site, V(4) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent F(1) atoms to form corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 28-35°. Both V(4)-O(3) bond lengths are 1.90 Å. Both V(4)-O(6) bond lengths are 1.80 Å. Both V(4)-F(1) bond lengths are 1.90 Å. There are six 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(1) and one V(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) 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(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) 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(2) and one V(4) 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 distorted bent 150 degrees geometry to one V(1) and one V(2) atom.