Materials Data on NbAgF6 by Materials Project

Abstract

AgNbF6 crystallizes in the tetragonal P4_2/mcm space group. The structure is three-dimensional. Nb5+ is bonded in an octahedral geometry to six F1- atoms. There is two shorter (1.94 Å) and four longer (1.95 Å) Nb–F bond length. Ag1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.46 Å) and four longer (2.94 Å) Ag–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Nb5+ and two equivalent Ag1+ atoms. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Nb5+ and one Ag1+ atom.