Materials Data on Al2S3 by Materials Project

Abstract

Al2S3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four S2- atoms to form corner-sharing AlS4 tetrahedra. There are a spread of Al–S bond distances ranging from 2.19–2.32 Å. In the second Al3+ site, Al3+ is bonded to four S2- atoms to form corner-sharing AlS4 tetrahedra. There are a spread of Al–S bond distances ranging from 2.19–2.33 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a trigonal non-coplanar geometry to three Al3+ atoms. In the second S2- site, S2- is bonded in a trigonal non-coplanar geometry to three Al3+ atoms. In the third S2- site, S2- is bonded in a water-like geometry to two Al3+ atoms.