Materials Data on Ba2PtAu by Materials Project

Abstract

Ba2PtAu crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 7-coordinate geometry to three equivalent Pt and four equivalent Au atoms. There are two shorter (3.42 Å) and one longer (3.46 Å) Ba–Pt bond lengths. All Ba–Au bond lengths are 3.39 Å. In the second Ba site, Ba is bonded in a 7-coordinate geometry to four equivalent Pt and three equivalent Au atoms. All Ba–Pt bond lengths are 3.39 Å. There are two shorter (3.41 Å) and one longer (3.48 Å) Ba–Au bond lengths. Pt is bonded in a 9-coordinate geometry to seven Ba and two equivalent Au atoms. Both Pt–Au bond lengths are 3.04 Å. Au is bonded in a 9-coordinate geometry to seven Ba and two equivalent Pt atoms.