Materials Data on Cs2SnTe4 by Materials Project

Abstract

Cs2SnTe4 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 3.93–4.25 Å. Sn4+ is bonded in a tetrahedral geometry to four Te+1.50- atoms. There are a spread of Sn–Te bond distances ranging from 2.79–2.88 Å. There are three inequivalent Te+1.50- sites. In the first Te+1.50- site, Te+1.50- is bonded in a 1-coordinate geometry to six equivalent Cs1+, one Sn4+, and one Te+1.50- atom. The Te–Te bond length is 3.43 Å. In the second Te+1.50- site, Te+1.50- is bonded in a 1-coordinate geometry to four equivalent Cs1+, one Sn4+, and three Te+1.50- atoms. Both Te–Te bond lengths are 3.64 Å. In the third Te+1.50- site, Te+1.50- is bonded in a 6-coordinate geometry to four equivalent Cs1+, one Sn4+, and two Te+1.50- atoms. The Te–Te bond length is 2.88 Å.