Materials Data on Ag3(PO4)2 by Materials Project

Abstract

Ag3(PO4)2 crystallizes in the trigonal R3 space group. The structure is three-dimensional. Ag2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.19–2.28 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.50 Å) and three longer (1.58 Å) P–O bond length. In the second P5+ site, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.54 Å) and one longer (1.65 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ag2+ and one P5+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Ag2+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a tetrahedral geometry to three equivalent Ag2+ and one P5+ atom.