Materials Data on Lu3Ga5Co by Materials Project

Abstract

Lu3CoGa5 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Lu is bonded in a 5-coordinate geometry to one Co and ten Ga atoms. The Lu–Co bond length is 2.78 Å. There are a spread of Lu–Ga bond distances ranging from 2.93–3.22 Å. Co is bonded in a 9-coordinate geometry to three equivalent Lu and six equivalent Ga atoms. All Co–Ga bond lengths are 2.62 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to six equivalent Lu, two equivalent Co, and four Ga atoms to form a mixture of distorted edge, corner, and face-sharing GaLu6Ga4Co2 cuboctahedra. There are two shorter (2.68 Å) and two longer (2.73 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 9-coordinate geometry to six equivalent Lu and three equivalent Ga atoms.