NbO2F crystallizes in the orthorhombic P2_12_12_1 space group. Nb(1) is bonded to two equivalent O(1), two equivalent O(2), and one F(1) atom to form corner-sharing NbO4F trigonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Nb(1) atoms. F(1) is bonded in a single-bond geometry to one Nb(1) atom.
NbO2F crystallizes in the orthorhombic P2_12_12_1 space group. Nb(1) is bonded to two equivalent O(1), two equivalent O(2), and one F(1) atom to form corner-sharing NbO4F trigonal bipyramids. There is one shorter (1.89 Å) and one longer (1.98 Å) Nb(1)-O(1) bond length. There is one shorter (1.83 Å) and one longer (2.09 Å) Nb(1)-O(2) bond length. The Nb(1)-F(1) bond length is 1.95 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Nb(1) atoms. F(1) is bonded in a single-bond geometry to one Nb(1) atom.