Materials Data on NbSbF10 by Materials Project

Abstract

NbSbF10 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two NbSbF10 ribbons oriented in the (1, 0, 0) direction. Nb5+ is bonded to six F1- atoms to form distorted NbF6 octahedra that share corners with two equivalent SbF6 octahedra. The corner-sharing octahedral tilt angles are 16°. There are a spread of Nb–F bond distances ranging from 1.85–2.21 Å. Sb5+ is bonded to six F1- atoms to form SbF6 octahedra that share corners with two equivalent NbF6 octahedra. The corner-sharing octahedral tilt angles are 16°. There are a spread of Sb–F bond distances ranging from 1.88–2.02 Å. There are ten 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 Sb5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the seventh F1- site, F1- is bonded in a distorted linear geometry to one Nb5+ and one Sb5+ atom. In the eighth F1- site, F1- is bonded in a distorted linear geometry to one Nb5+ and one Sb5+ atom. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom. In the tenth F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom.