Materials Data on Y10Si6B by Materials Project

Abstract

Y10BSi6 crystallizes in the trigonal P-31m space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded in a 6-coordinate geometry to six equivalent Si atoms. All Y–Si bond lengths are 3.07 Å. In the second Y site, Y is bonded in a 6-coordinate geometry to six equivalent Si atoms. All Y–Si bond lengths are 3.07 Å. In the third Y site, Y is bonded in a 1-coordinate geometry to one B and five equivalent Si atoms. The Y–B bond length is 2.57 Å. There are a spread of Y–Si bond distances ranging from 2.95–3.56 Å. B is bonded in an octahedral geometry to six equivalent Y atoms. Si is bonded in a 9-coordinate geometry to nine Y atoms.