Materials Data on ErCoSi3 by Materials Project

Abstract

ErCoSi3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Er3+ is bonded in a 10-coordinate geometry to ten Si+1.33- atoms. There are a spread of Er–Si bond distances ranging from 2.95–3.12 Å. Co1+ is bonded in a 5-coordinate geometry to five Si+1.33- atoms. There are a spread of Co–Si bond distances ranging from 2.24–2.27 Å. There are three inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to two equivalent Er3+, two equivalent Co1+, and five Si+1.33- atoms. There are one shorter (2.36 Å) and four longer (2.78 Å) Si–Si bond lengths. In the second Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to six equivalent Er3+, one Co1+, and two equivalent Si+1.33- atoms. Both Si–Si bond lengths are 2.43 Å. In the third Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to two equivalent Er3+, two equivalent Co1+, and five Si+1.33- atoms. The Si–Si bond length is 2.37 Å.