Materials Data on Ba2Ni5Ge4 by Materials Project

Abstract

Ba2Ni5Ge4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba is bonded in a 9-coordinate geometry to two equivalent Ni and seven Ge atoms. Both Ba–Ni bond lengths are 3.44 Å. There are a spread of Ba–Ge bond distances ranging from 3.37–3.51 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 4-coordinate geometry to two equivalent Ni and four Ge atoms. Both Ni–Ni bond lengths are 2.67 Å. There are a spread of Ni–Ge bond distances ranging from 2.30–2.37 Å. In the second Ni site, Ni is bonded in a 4-coordinate geometry to two equivalent Ba, one Ni, and four Ge atoms. The Ni–Ni bond length is 2.49 Å. There are a spread of Ni–Ge bond distances ranging from 2.33–2.45 Å. In the third Ni site, Ni is bonded in a 12-coordinate geometry to six Ni and six Ge atoms. There are four shorter (2.58 Å) and two longer (2.81 Å) Ni–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Ba and seven Ni atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to five equivalent Ba and four Ni atoms.