Materials Data on LiYGa4 by Materials Project

Abstract

LiYGa4 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Li is bonded in a 6-coordinate geometry to twelve Ga atoms. There are six shorter (2.84 Å) and six longer (3.16 Å) Li–Ga bond lengths. Y is bonded in a 6-coordinate geometry to twelve Ga atoms. There are six shorter (2.95 Å) and six longer (3.30 Å) Y–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to three equivalent Li, three equivalent Y, and four Ga atoms. There are three shorter (2.58 Å) and one longer (2.64 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to three equivalent Li, three equivalent Y, and four Ga atoms. The Ga–Ga bond length is 3.08 Å.