Materials Data on LiErGe by Materials Project

Abstract

LiErGe crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Li is bonded to four Ge atoms to form a mixture of distorted corner and edge-sharing LiGe4 tetrahedra. There are two shorter (2.67 Å) and two longer (2.75 Å) Li–Ge bond lengths. Er is bonded in a 5-coordinate geometry to five Ge atoms. There are four shorter (2.97 Å) and one longer (2.98 Å) Er–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Li and three equivalent Er atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Li and six equivalent Er atoms.