Materials Data on LaCoCu12 by Materials Project

Abstract

LaCoCu12 crystallizes in the cubic Fm-3c space group. The structure is three-dimensional. La is bonded in a 1-coordinate geometry to twenty-four equivalent Cu atoms. All La–Cu bond lengths are 3.37 Å. Co is bonded to twelve equivalent Cu atoms to form CoCu12 cuboctahedra that share corners with twelve equivalent CuLa2CoCu9 cuboctahedra and faces with twenty-four equivalent CuLa2CoCu9 cuboctahedra. All Co–Cu bond lengths are 2.47 Å. Cu is bonded to two equivalent La, one Co, and nine equivalent Cu atoms to form distorted CuLa2CoCu9 cuboctahedra that share a cornercorner with one CoCu12 cuboctahedra, corners with twenty-seven equivalent CuLa2CoCu9 cuboctahedra, edges with eight equivalent CuLa2CoCu9 cuboctahedra, faces with two equivalent CoCu12 cuboctahedra, and faces with twenty-three equivalent CuLa2CoCu9 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.46–2.70 Å.