Materials Data on Zn2GeS4 by Materials Project

Abstract

Zn2GeS4 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Zn2+ is bonded to four S2- atoms to form ZnS4 tetrahedra that share corners with four equivalent ZnS4 tetrahedra and corners with four equivalent GeS4 tetrahedra. There are a spread of Zn–S bond distances ranging from 2.35–2.37 Å. Ge4+ is bonded to four S2- atoms to form GeS4 tetrahedra that share corners with eight equivalent ZnS4 tetrahedra. All Ge–S bond lengths are 2.25 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a trigonal non-coplanar geometry to two equivalent Zn2+ and one Ge4+ atom. In the second S2- site, S2- is bonded in a trigonal non-coplanar geometry to two equivalent Zn2+ and one Ge4+ atom.