Materials Data on ZrGaRh by Materials Project

Abstract

ZrRhGa crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Zr is bonded in a 11-coordinate geometry to five Rh and six equivalent Ga atoms. There are four shorter (2.81 Å) and one longer (2.88 Å) Zr–Rh bond lengths. There are two shorter (2.96 Å) and four longer (3.05 Å) Zr–Ga bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to three equivalent Zr and six equivalent Ga atoms. All Rh–Ga bond lengths are 2.61 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to six equivalent Zr and three equivalent Ga atoms. All Rh–Ga bond lengths are 2.69 Å. Ga is bonded in a 10-coordinate geometry to six equivalent Zr and four Rh atoms.