Materials Data on In4SnSe4 by Materials Project

Abstract

Sn(InSe)4 is Hittorf-derived structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional and consists of eight 7440-31-5 molecules and one InSe framework. In the InSe framework, there are two inequivalent In+1.50+ sites. In the first In+1.50+ site, In+1.50+ is bonded in a distorted trigonal non-coplanar geometry to three Se2- atoms. There are a spread of In–Se bond distances ranging from 2.65–2.72 Å. In the second In+1.50+ site, In+1.50+ is bonded in a trigonal non-coplanar geometry to three equivalent Se2- atoms. All In–Se bond lengths are 2.72 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a trigonal non-coplanar geometry to three In+1.50+ atoms. In the second Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent In+1.50+ atoms.