Materials Data on In5S4 by Materials Project

Abstract

In5S4 is Hittorf-derived structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional and consists of eight indium molecules and one InS framework. In the InS framework, there are two inequivalent In+1.60+ sites. In the first In+1.60+ site, In+1.60+ is bonded in a trigonal non-coplanar geometry to three equivalent S2- atoms. All In–S bond lengths are 2.58 Å. In the second In+1.60+ site, In+1.60+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of In–S bond distances ranging from 2.53–2.59 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a trigonal non-coplanar geometry to three In+1.60+ atoms. In the second S2- site, S2- is bonded in a trigonal non-coplanar geometry to three equivalent In+1.60+ atoms.