Materials Data on ErGe3 by Materials Project

Abstract

ErGe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Er–Ge bond distances ranging from 2.94–3.24 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Er and five equivalent Ge atoms. There are one shorter (2.51 Å) and four longer (2.81 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Er and five equivalent Ge atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to six equivalent Er and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.58 Å.