Materials Data on Eu2SiS4 by Materials Project

Abstract

Eu2SiS4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Eu–S bond distances ranging from 2.92–3.48 Å. In the second Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Eu–S bond distances ranging from 2.97–3.44 Å. Si4+ is bonded in a tetrahedral geometry to four S2- atoms. All Si–S bond lengths are 2.13 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to four Eu2+ and one Si4+ atom to form a mixture of distorted face, edge, and corner-sharing SEu4Si square pyramids. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four Eu2+ and one Si4+ atom. In the third S2- site, S2- is bonded in a 1-coordinate geometry to four Eu2+ and one Si4+ atom.