Materials Data on Ga8Cu3W2 by Materials Project

Abstract

W2Cu3Ga8 crystallizes in the cubic I-43d space group. The structure is three-dimensional. W is bonded in a 11-coordinate geometry to three equivalent Cu and eight Ga atoms. All W–Cu bond lengths are 2.77 Å. There are one shorter (2.58 Å) and seven longer (2.63 Å) W–Ga bond lengths. Cu is bonded in a distorted q6 geometry to two equivalent W and eight Ga atoms. There are a spread of Cu–Ga bond distances ranging from 2.58–2.70 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent W, three equivalent Cu, and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.74 Å. In the second Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent W, three equivalent Cu, and one Ga atom.