Materials Data on Eu5Si3H by Materials Project

Abstract

Eu5Si3H crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Eu+2.20+ sites. In the first Eu+2.20+ site, Eu+2.20+ is bonded to six Si4- atoms to form corner-sharing EuSi6 octahedra. The corner-sharing octahedra tilt angles range from 0–59°. There are four shorter (3.13 Å) and two longer (3.61 Å) Eu–Si bond lengths. In the second Eu+2.20+ site, Eu+2.20+ is bonded in a distorted single-bond geometry to five Si4- and one H1+ atom. There are a spread of Eu–Si bond distances ranging from 3.10–3.22 Å. The Eu–H bond length is 2.38 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 10-coordinate geometry to ten Eu+2.20+ atoms. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to eight Eu+2.20+ and one Si4- atom. The Si–Si bond length is 2.40 Å. H1+ is bonded in a tetrahedral geometry to four equivalent Eu+2.20+ atoms.