Materials Data on BaGe3Rh by Materials Project

Abstract

BaRhGe3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to five equivalent Rh and twelve Ge atoms. There are four shorter (3.59 Å) and one longer (3.64 Å) Ba–Rh bond lengths. There are a spread of Ba–Ge bond distances ranging from 3.37–3.49 Å. Rh is bonded in a 5-coordinate geometry to five equivalent Ba and five Ge atoms. All Rh–Ge bond lengths are 2.52 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to four equivalent Ba, one Rh, and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.81 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Ba, two equivalent Rh, and two equivalent Ge atoms.