Nb2O2F3 crystallizes in the triclinic P-1 space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(2), two equivalent O(1), one F(1), one F(2), and one F(3) atom to form a mixture of corner and edge-sharing NbO3F3 octahedra. The corner-sharing octahedral tilt angles range from 35-44°. In the second Nb site, Nb(2) is bonded to one O(1), two equivalent O(2), one F(1), one F(2), and one F(3) atom to form a mixture of corner and edge-sharing NbO3F3 octahedra. The corner-sharing octahedral tilt angles range from 35-44°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Nb(2) and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Nb(1) and two equivalent Nb(2) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(2) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(2) atom. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to one Nb(1) and one Nb(2) atom.
Nb2O2F3 crystallizes in the triclinic P-1 space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(2), two equivalent O(1), one F(1), one F(2), and one F(3) atom to form a mixture of corner and edge-sharing NbO3F3 octahedra. The corner-sharing octahedral tilt angles range from 35-44°. The Nb(1)-O(2) bond length is 1.99 Å. There is one shorter (2.08 Å) and one longer (2.09 Å) Nb(1)-O(1) bond length. The Nb(1)-F(1) bond length is 2.14 Å. The Nb(1)-F(2) bond length is 2.15 Å. The Nb(1)-F(3) bond length is 2.10 Å. In the second Nb site, Nb(2) is bonded to one O(1), two equivalent O(2), one F(1), one F(2), and one F(3) atom to form a mixture of corner and edge-sharing NbO3F3 octahedra. The corner-sharing octahedral tilt angles range from 35-44°. The Nb(2)-O(1) bond length is 1.98 Å. There is one shorter (2.07 Å) and one longer (2.08 Å) Nb(2)-O(2) bond length. The Nb(2)-F(1) bond length is 2.13 Å. The Nb(2)-F(2) bond length is 2.11 Å. The Nb(2)-F(3) bond length is 2.15 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Nb(2) and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Nb(1) and two equivalent Nb(2) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(2) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(2) atom. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to one Nb(1) and one Nb(2) atom.