Materials Data on Cs2GeTe4 by Materials Project

Abstract

Cs2GeTe4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to nine Te+1.50- atoms. There are a spread of Cs–Te bond distances ranging from 3.91–4.23 Å. Ge4+ is bonded in a tetrahedral geometry to four Te+1.50- atoms. There are a spread of Ge–Te bond distances ranging from 2.61–2.71 Å. There are three inequivalent Te+1.50- sites. In the first Te+1.50- site, Te+1.50- is bonded in a 5-coordinate geometry to four equivalent Cs1+ and one Ge4+ atom. In the second Te+1.50- site, Te+1.50- is bonded in a 6-coordinate geometry to four equivalent Cs1+, one Ge4+, and one Te+1.50- atom. The Te–Te bond length is 2.85 Å. In the third Te+1.50- site, Te+1.50- is bonded in a 1-coordinate geometry to six equivalent Cs1+ and one Ge4+ atom.