NbOF3 crystallizes in the orthorhombic P2_12_12_1 space group. Nb(1) is bonded to two equivalent O(1), one F(2), one F(3), and two equivalent F(1) atoms to form distorted corner-sharing NbO2F4 octahedra. The corner-sharing octahedral tilt angles range from 13-32°. O(1) is bonded in a linear geometry to two equivalent Nb(1) atoms. 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 single-bond geometry to one Nb(1) atom.
NbOF3 crystallizes in the orthorhombic P2_12_12_1 space group. Nb(1) is bonded to two equivalent O(1), one F(2), one F(3), and two equivalent F(1) atoms to form distorted corner-sharing NbO2F4 octahedra. The corner-sharing octahedral tilt angles range from 13-32°. There is one shorter (1.82 Å) and one longer (2.03 Å) Nb(1)-O(1) bond length. The Nb(1)-F(2) bond length is 1.89 Å. The Nb(1)-F(3) bond length is 1.88 Å. There is one shorter (2.02 Å) and one longer (2.25 Å) Nb(1)-F(1) bond length. O(1) is bonded in a linear geometry to two equivalent Nb(1) atoms. 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 single-bond geometry to one Nb(1) atom.