Materials Data on Ba2Ge3 by Materials Project

Abstract

Ba2Ge3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to nine Ge atoms. There are a spread of Ba–Ge bond distances ranging from 3.47–3.75 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Ba and three Ge atoms. There are one shorter (2.46 Å) and two longer (2.54 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 7-coordinate geometry to six equivalent Ba and one Ge atom. In the third Ge site, Ge is bonded in a 8-coordinate geometry to six equivalent Ba and two equivalent Ge atoms.