Materials Data on TlAgS by Materials Project

Abstract

AgTlS crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ag1+ is bonded in a 3-coordinate geometry to six equivalent Tl1+ and three equivalent S2- atoms. There are a spread of Ag–Tl bond distances ranging from 3.25–3.56 Å. There are one shorter (2.58 Å) and two longer (2.61 Å) Ag–S bond lengths. Tl1+ is bonded in a 2-coordinate geometry to six equivalent Ag1+, two equivalent Tl1+, and six equivalent S2- atoms. Both Tl–Tl bond lengths are 3.55 Å. There are a spread of Tl–S bond distances ranging from 3.12–3.64 Å. S2- is bonded in a 3-coordinate geometry to three equivalent Ag1+ and six equivalent Tl1+ atoms.