Materials Data on Eu5Sn3H by Materials Project

Abstract

Eu5Sn3H crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded to six Sn atoms to form distorted corner-sharing EuSn6 octahedra. The corner-sharing octahedra tilt angles range from 0–53°. There are four shorter (3.32 Å) and two longer (3.81 Å) Eu–Sn bond lengths. In the second Eu site, Eu is bonded in a distorted single-bond geometry to five Sn and one H atom. There are a spread of Eu–Sn bond distances ranging from 3.36–3.48 Å. The Eu–H bond length is 2.47 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to ten Eu atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to eight Eu and one Sn atom. The Sn–Sn bond length is 2.95 Å. H is bonded in a tetrahedral geometry to four equivalent Eu atoms.