Materials Data on BaGe5 by Materials Project

Abstract

BaGe5 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ba is bonded in a 4-coordinate geometry to fifteen Ge atoms. There are a spread of Ba–Ge bond distances ranging from 3.41–3.77 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Ba and four Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.65–2.70 Å. In the second Ge site, Ge is bonded in a 7-coordinate geometry to three equivalent Ba and four Ge atoms. Both Ge–Ge bond lengths are 2.67 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to two equivalent Ba and six Ge atoms. There are one shorter (2.62 Å) and two longer (2.91 Å) Ge–Ge bond lengths.