Materials Data on Ag5IO6 by Materials Project

Abstract

Ag5O6I crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent Ag+1.40+ sites. In the first Ag+1.40+ site, Ag+1.40+ is bonded in a 2-coordinate geometry to six equivalent O2- atoms. There are a spread of Ag–O bond distances ranging from 2.23–2.84 Å. In the second Ag+1.40+ site, Ag+1.40+ is bonded to six equivalent O2- atoms to form distorted AgO6 pentagonal pyramids that share edges with three equivalent IO6 octahedra and edges with three equivalent AgO6 pentagonal pyramids. There are three shorter (2.52 Å) and three longer (2.64 Å) Ag–O bond lengths. O2- is bonded in a 6-coordinate geometry to five Ag+1.40+ and one I5+ atom. The O–I bond length is 1.94 Å. I5+ is bonded to six equivalent O2- atoms to form IO6 octahedra that share edges with six equivalent AgO6 pentagonal pyramids.