Materials Data on LuAlCu by Materials Project

Abstract

LuCuAl crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to four equivalent Lu, six equivalent Cu, and six equivalent Al atoms. There are two shorter (3.24 Å) and two longer (3.26 Å) Lu–Lu bond lengths. There are two shorter (3.08 Å) and four longer (3.13 Å) Lu–Cu bond lengths. There are two shorter (3.08 Å) and four longer (3.12 Å) Lu–Al bond lengths. Cu is bonded to six equivalent Lu, two equivalent Cu, and four equivalent Al atoms to form CuLu6Al4Cu2 cuboctahedra that share corners with eight equivalent AlLu6Al2Cu4 cuboctahedra, corners with ten equivalent CuLu6Al4Cu2 cuboctahedra, edges with six equivalent CuLu6Al4Cu2 cuboctahedra, faces with six equivalent CuLu6Al4Cu2 cuboctahedra, and faces with twelve equivalent AlLu6Al2Cu4 cuboctahedra. Both Cu–Cu bond lengths are 2.66 Å. All Cu–Al bond lengths are 2.65 Å. Al is bonded to six equivalent Lu, four equivalent Cu, and two equivalent Al atoms to form AlLu6Al2Cu4 cuboctahedra that share corners with eight equivalent CuLu6Al4Cu2 cuboctahedra, corners with ten equivalent AlLu6Al2Cu4 cuboctahedra, edges with six equivalent AlLu6Al2Cu4 cuboctahedra, faces with six equivalent AlLu6Al2Cu4 cuboctahedra, and faces with twelve equivalent CuLu6Al4Cu2 cuboctahedra. Both Al–Al bond lengths are 2.68 Å.