Materials Data on Ag2WS4 by Materials Project

Abstract

Ag2WS4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. W6+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of W–S bond distances ranging from 2.20–2.24 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Ag–S bond distances ranging from 2.54–2.91 Å. In the second Ag1+ site, Ag1+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Ag–S bond distances ranging from 2.46–3.05 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to one W6+ and three Ag1+ atoms. In the second S2- site, S2- is bonded in a 2-coordinate geometry to one W6+ and two Ag1+ atoms. In the third S2- site, S2- is bonded in a 3-coordinate geometry to one W6+ and two equivalent Ag1+ atoms.