Materials Data on BaInGa by Materials Project

Abstract

BaInGa crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to six equivalent In and six equivalent Ga atoms. There are a spread of Ba–In bond distances ranging from 3.48–3.89 Å. There are a spread of Ba–Ga bond distances ranging from 3.45–3.79 Å. In is bonded in a 10-coordinate geometry to six equivalent Ba, one In, and three equivalent Ga atoms. The In–In bond length is 3.08 Å. There are two shorter (2.97 Å) and one longer (3.02 Å) In–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to six equivalent Ba, three equivalent In, and one Ga atom. The Ga–Ga bond length is 2.80 Å.