Materials Data on Cs2NbAuF6 by Materials Project

Abstract

Cs2NbF6Au crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four gold molecules and one Cs2NbF6 framework. In the Cs2NbF6 framework, Cs1+ is bonded to twelve equivalent F1- atoms to form distorted CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, and faces with four equivalent NbF6 octahedra. All Cs–F bond lengths are 3.60 Å. Nb5+ is bonded to six equivalent F1- atoms to form NbF6 octahedra that share faces with eight equivalent CsF12 cuboctahedra. All Nb–F bond lengths are 1.94 Å. F1- is bonded in a single-bond geometry to four equivalent Cs1+ and one Nb5+ atom.