NbOF3 crystallizes in the tetragonal P4_1 space group. Nb(1) is bonded to one O(1), one F(2), two equivalent F(1), and two equivalent F(3) atoms to form distorted corner-sharing NbOF5 octahedra. The corner-sharing octahedral tilt angles range from 31-35°. O(1) is bonded in a single-bond geometry to one Nb(1) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to two equivalent Nb(1) atoms. In the second F site, F(2) is bonded in a single-bond geometry to one Nb(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to two equivalent Nb(1) atoms.
NbOF3 crystallizes in the tetragonal P4_1 space group. Nb(1) is bonded to one O(1), one F(2), two equivalent F(1), and two equivalent F(3) atoms to form distorted corner-sharing NbOF5 octahedra. The corner-sharing octahedral tilt angles range from 31-35°. The Nb(1)-O(1) bond length is 1.72 Å. The Nb(1)-F(2) bond length is 1.89 Å. There is one shorter (1.98 Å) and one longer (2.39 Å) Nb(1)-F(1) bond length. There is one shorter (2.10 Å) and one longer (2.14 Å) Nb(1)-F(3) bond length. O(1) is bonded in a single-bond geometry to one Nb(1) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to two equivalent Nb(1) atoms. In the second F site, F(2) is bonded in a single-bond geometry to one Nb(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to two equivalent Nb(1) atoms.