Materials Data on Er2Si3 by Materials Project

Abstract

Er2Si3 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 10-coordinate geometry to ten Si atoms. There are a spread of Er–Si bond distances ranging from 2.94–3.09 Å. In the second Er site, Er is bonded in a 8-coordinate geometry to eight Si atoms. There are a spread of Er–Si bond distances ranging from 2.92–3.04 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 7-coordinate geometry to six Er and one Si atom. The Si–Si bond length is 2.31 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to six Er and three Si atoms. Both Si–Si bond lengths are 2.36 Å. In the third Si site, Si is bonded in a 8-coordinate geometry to six Er and two equivalent Si atoms.