Materials Data on CeAl(CuNi)2 by Materials Project

Abstract

CeAl(NiCu)2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to six equivalent Ni, eight equivalent Cu, and four equivalent Al atoms. There are two shorter (2.85 Å) and four longer (2.90 Å) Ce–Ni bond lengths. All Ce–Cu bond lengths are 3.21 Å. All Ce–Al bond lengths are 3.27 Å. Ni is bonded in a 12-coordinate geometry to three equivalent Ce, four equivalent Cu, and two equivalent Al atoms. All Ni–Cu bond lengths are 2.52 Å. Both Ni–Al bond lengths are 2.48 Å. Cu is bonded to four equivalent Ce, four equivalent Ni, two equivalent Cu, and two equivalent Al atoms to form a mixture of distorted edge, corner, and face-sharing CuCe4Al2Cu2Ni4 cuboctahedra. Both Cu–Cu bond lengths are 2.55 Å. Both Cu–Al bond lengths are 2.47 Å. Al is bonded in a 12-coordinate geometry to four equivalent Ce, four equivalent Ni, and four equivalent Cu atoms.