Materials Data on Hf6Ga16Rh7 by Materials Project

Abstract

Hf6Rh7Ga16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a 4-coordinate geometry to four equivalent Ga atoms. All Hf–Ga bond lengths are 2.77 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded to eight Ga atoms to form distorted edge-sharing RhGa8 cuboctahedra. There are four shorter (2.53 Å) and four longer (2.70 Å) Rh–Ga bond lengths. In the second Rh site, Rh is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Rh–Ga bond lengths are 2.61 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 6-coordinate geometry to three equivalent Hf and three equivalent Rh atoms. In the second Ga site, Ga is bonded in a 4-coordinate geometry to four Rh atoms.