Materials Data on NaAgSO5 by Materials Project

Abstract

NaAgSO5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Na1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.30–2.58 Å. Ag3+ is bonded in a 4-coordinate geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.25–2.65 Å. S6+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.50 Å) and one longer (1.56 Å) S–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Na1+ and one S6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Ag3+, and one S6+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+, one Ag3+, and one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to one Na1+ and one O2- atom. The O–O bond length is 1.26 Å. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ag3+ and one O2- atom.