Materials Data on Ba2Eu3Si7 by Materials Project

Abstract

Ba2Eu3Si7 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine Si+1.71- atoms. There are three shorter (3.51 Å) and six longer (3.52 Å) Ba–Si bond lengths. Eu+2.67+ is bonded in a 9-coordinate geometry to nine Si+1.71- atoms. There are a spread of Eu–Si bond distances ranging from 3.13–3.26 Å. There are three inequivalent Si+1.71- sites. In the first Si+1.71- site, Si+1.71- is bonded in a 9-coordinate geometry to six equivalent Eu+2.67+ and three equivalent Si+1.71- atoms. All Si–Si bond lengths are 2.40 Å. In the second Si+1.71- site, Si+1.71- is bonded in a 9-coordinate geometry to two equivalent Ba2+, four equivalent Eu+2.67+, and three Si+1.71- atoms. Both Si–Si bond lengths are 2.45 Å. In the third Si+1.71- site, Si+1.71- is bonded in a 9-coordinate geometry to four equivalent Ba2+, three equivalent Eu+2.67+, and two equivalent Si+1.71- atoms.