Materials Data on Cs2Sn(AuS2)2 by Materials Project

Abstract

Cs2Sn(AuS2)2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to two equivalent Au1+ and eight equivalent S2- atoms. Both Cs–Au bond lengths are 4.04 Å. There are a spread of Cs–S bond distances ranging from 3.67–4.09 Å. Au1+ is bonded in a distorted linear geometry to two equivalent Cs1+ and two equivalent S2- atoms. Both Au–S bond lengths are 2.33 Å. Sn4+ is bonded in a tetrahedral geometry to four equivalent S2- atoms. All Sn–S bond lengths are 2.45 Å. S2- is bonded in a 1-coordinate geometry to four equivalent Cs1+, one Au1+, and one Sn4+ atom.