Materials Data on Yb2GeS4 by Materials Project

Abstract

Yb2GeS4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Yb2+ sites. In the first Yb2+ site, Yb2+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Yb–S bond distances ranging from 2.82–2.95 Å. In the second Yb2+ site, Yb2+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Yb–S bond distances ranging from 2.82–2.93 Å. Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Ge–S bond distances ranging from 2.20–2.23 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted T-shaped geometry to two Yb2+ and one Ge4+ atom. In the second S2- site, S2- is bonded in a distorted T-shaped geometry to two Yb2+ and one Ge4+ atom. In the third S2- site, S2- is bonded to four Yb2+ and one Ge4+ atom to form a mixture of distorted corner, edge, and face-sharing SYb4Ge square pyramids.