Materials Data on Ba2Ge5Ir4 by Materials Project

Abstract

Ba2Ir4Ge5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba is bonded in a 4-coordinate geometry to two equivalent Ba, eight Ir, and ten Ge atoms. Both Ba–Ba bond lengths are 3.61 Å. There are a spread of Ba–Ir bond distances ranging from 3.51–3.99 Å. There are a spread of Ba–Ge bond distances ranging from 3.40–3.74 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 5-coordinate geometry to four equivalent Ba and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.43–2.63 Å. In the second Ir site, Ir is bonded in a 5-coordinate geometry to four equivalent Ba and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.39–2.67 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 Ir atoms. In the second Ge site, Ge is bonded in a 10-coordinate geometry to four equivalent Ba and four Ir atoms. In the third Ge site, Ge is bonded in a 12-coordinate geometry to four equivalent Ba and four Ir atoms.