Materials Data on Sr2GeS4 by Materials Project

Abstract

Sr2GeS4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Sr–S bond distances ranging from 3.04–3.55 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Sr–S bond distances ranging from 2.98–3.59 Å. Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.22 Å) and three longer (2.23 Å) Ge–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to four Sr2+ and one Ge4+ atom to form a mixture of distorted edge, face, and corner-sharing SSr4Ge square pyramids. In the second S2- site, S2- is bonded in a 3-coordinate geometry to four Sr2+ and one Ge4+ atom. In the third S2- site, S2- is bonded in a 3-coordinate geometry to four Sr2+ and one Ge4+ atom.