Materials Data on BaGe3Ir by Materials Project

Abstract

BaIrGe3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to five equivalent Ir and twelve Ge atoms. There are one shorter (3.61 Å) and four longer (3.62 Å) Ba–Ir bond lengths. There are a spread of Ba–Ge bond distances ranging from 3.38–3.48 Å. Ir is bonded in a 5-coordinate geometry to five equivalent Ba and five Ge atoms. There are one shorter (2.48 Å) and four longer (2.53 Å) Ir–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to four equivalent Ba, one Ir, and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.84 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Ba, two equivalent Ir, and two equivalent Ge atoms.