Materials Data on NbF5 by Materials Project
NbF5 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two NbF5 clusters. there are two inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded to six F1- atoms to form corner-sharing NbF6 octahedra. The corner-sharing octahedral tilt angles are 6°. There are a spread of Nb–F bond distances ranging from 1.87–2.12 Å. In the second Nb5+ site, Nb5+ is bonded to six F1- atoms to form corner-sharing NbF6 octahedra. The corner-sharing octahedral tilt angles are 6°. There are a spread of Nb–F bond distances ranging from 1.87–2.11 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom. In the fifth F1- site, F1- is bonded in a linear geometry to two Nb5+ atoms. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom.