Materials Data on Cs2Hg3(GeS4)2 by Materials Project

Abstract

Cs2Hg3(GeS4)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Cs–S bond distances ranging from 3.62–4.01 Å. There are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Hg–S bond distances ranging from 2.46–3.10 Å. In the second Hg2+ site, Hg2+ is bonded in a distorted linear geometry to two equivalent S2- atoms. Both Hg–S bond lengths are 2.38 Å. Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Ge–S bond distances ranging from 2.24–2.28 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent Cs1+, one Hg2+, and one Ge4+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent Cs1+, one Hg2+, and one Ge4+ atom. In the third S2- site, S2- is bonded in a distorted L-shaped geometry to two equivalent Cs1+, one Hg2+, and one Ge4+ atom. In the fourth S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent Cs1+, two equivalent Hg2+, and one Ge4+ atom.