Materials Data on U2Ga3Cu by Materials Project

Abstract

U2CuGa3 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a 12-coordinate geometry to two equivalent U, two equivalent Cu, and ten Ga atoms. Both U–U bond lengths are 2.93 Å. Both U–Cu bond lengths are 3.05 Å. There are eight shorter (3.09 Å) and two longer (3.17 Å) U–Ga bond lengths. In the second U site, U is bonded in a 12-coordinate geometry to two equivalent U, four equivalent Cu, and eight Ga atoms. Both U–U bond lengths are 2.93 Å. All U–Cu bond lengths are 3.08 Å. There are a spread of U–Ga bond distances ranging from 3.02–3.08 Å. Cu is bonded in a 11-coordinate geometry to six U, two equivalent Cu, and three Ga atoms. Both Cu–Cu bond lengths are 2.93 Å. There are one shorter (2.65 Å) and two longer (2.66 Å) Cu–Ga bond lengths. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 11-coordinate geometry to six U and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.74–2.93 Å. In the second Ga site, Ga is bonded in a 11-coordinate geometry to six U, two equivalent Cu, and three Ga atoms. Both Ga–Ga bond lengths are 2.93 Å. In the third Ga site, Ga is bonded in a 11-coordinate geometry to six U, one Cu, and four Ga atoms. Both Ga–Ga bond lengths are 2.93 Å.