NbF5 is Indium-like structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two NbF5 clusters. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one F(2), one F(3), two equivalent F(4), and two equivalent F(5) atoms to form corner-sharing NbF6 octahedra. The corner-sharing octahedral tilt angles are 7°. In the second Nb site, Nb(2) is bonded to two equivalent F(1), two equivalent F(5), and two equivalent F(6) atoms to form corner-sharing NbF6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are six inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Nb(2) atom. 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. In the fourth F site, F(4) is bonded in a single-bond geometry to one Nb(1) atom. In the fifth F site, F(5) is bonded in a linear geometry to one Nb(1) and one Nb(2) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one Nb(2) atom.
NbF5 is Indium-like structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two NbF5 clusters. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one F(2), one F(3), two equivalent F(4), and two equivalent F(5) atoms to form corner-sharing NbF6 octahedra. The corner-sharing octahedral tilt angles are 7°. The Nb(1)-F(2) bond length is 1.88 Å. The Nb(1)-F(3) bond length is 1.90 Å. Both Nb(1)-F(4) bond lengths are 1.86 Å. Both Nb(1)-F(5) bond lengths are 2.10 Å. In the second Nb site, Nb(2) is bonded to two equivalent F(1), two equivalent F(5), and two equivalent F(6) atoms to form corner-sharing NbF6 octahedra. The corner-sharing octahedral tilt angles are 7°. Both Nb(2)-F(1) bond lengths are 1.86 Å. Both Nb(2)-F(5) bond lengths are 2.09 Å. Both Nb(2)-F(6) bond lengths are 1.89 Å. There are six inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Nb(2) atom. 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. In the fourth F site, F(4) is bonded in a single-bond geometry to one Nb(1) atom. In the fifth F site, F(5) is bonded in a linear geometry to one Nb(1) and one Nb(2) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one Nb(2) atom.