Materials Data on Ag6P6O19 by Materials Project

Abstract

(AgPO3)12O2 crystallizes in the trigonal R3 space group. The structure is three-dimensional and consists of three water molecules and one AgPO3 framework. In the AgPO3 framework, Ag+1.33+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ag–O bond distances ranging from 2.34–2.94 Å. P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.51–1.63 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Ag+1.33+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ag+1.33+ and two equivalent P5+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ag+1.33+ and one P5+ atom.