Materials Data on ZrGaCo by Materials Project

Abstract

ZrCoGa crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Zr is bonded in a 11-coordinate geometry to five Co and six equivalent Ga atoms. There are four shorter (2.70 Å) and one longer (2.80 Å) Zr–Co bond lengths. There are two shorter (2.87 Å) and four longer (2.97 Å) Zr–Ga bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to three equivalent Zr and six equivalent Ga atoms. All Co–Ga bond lengths are 2.47 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to six equivalent Zr and three equivalent Ga atoms. All Co–Ga bond lengths are 2.61 Å. Ga is bonded in a 10-coordinate geometry to six equivalent Zr and four Co atoms.