Materials Data on CaAlGa by Materials Project

Abstract

CaGaAl crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to six equivalent Ga and six equivalent Al atoms. There are a spread of Ca–Ga bond distances ranging from 3.11–3.40 Å. There are a spread of Ca–Al bond distances ranging from 3.15–3.39 Å. Ga is bonded in a 10-coordinate geometry to six equivalent Ca, one Ga, and three equivalent Al atoms. The Ga–Ga bond length is 2.68 Å. There are two shorter (2.67 Å) and one longer (2.78 Å) Ga–Al bond lengths. Al is bonded in a 10-coordinate geometry to six equivalent Ca, three equivalent Ga, and one Al atom. The Al–Al bond length is 2.70 Å.