Materials Data on V2Ga8Cu3 by Materials Project

Abstract

V2Cu3Ga8 crystallizes in the cubic I-43d space group. The structure is three-dimensional. V is bonded in a 11-coordinate geometry to three equivalent Cu and eight Ga atoms. All V–Cu bond lengths are 2.83 Å. There are a spread of V–Ga bond distances ranging from 2.55–2.58 Å. Cu is bonded in a 11-coordinate geometry to two equivalent V, one Cu, and eight Ga atoms. The Cu–Cu bond length is 2.85 Å. There are a spread of Cu–Ga bond distances ranging from 2.57–2.69 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 5-coordinate geometry to two equivalent V, three equivalent Cu, and one Ga atom. The Ga–Ga bond length is 2.72 Å. In the second Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent V, three equivalent Cu, and three equivalent Ga atoms.