Materials Data on Al2CuMo by Materials Project

Abstract

MoCuAl2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mo is bonded to four equivalent Cu and eight equivalent Al atoms to form MoAl8Cu4 cuboctahedra that share corners with four equivalent MoAl8Cu4 cuboctahedra, corners with eight equivalent CuAl8Mo4 cuboctahedra, edges with eight equivalent MoAl8Cu4 cuboctahedra, edges with sixteen equivalent AlAl4Cu4Mo4 cuboctahedra, faces with four equivalent MoAl8Cu4 cuboctahedra, faces with six equivalent CuAl8Mo4 cuboctahedra, and faces with eight equivalent AlAl4Cu4Mo4 cuboctahedra. All Mo–Cu bond lengths are 2.72 Å. All Mo–Al bond lengths are 2.75 Å. Cu is bonded to four equivalent Mo and eight equivalent Al atoms to form CuAl8Mo4 cuboctahedra that share corners with four equivalent CuAl8Mo4 cuboctahedra, corners with eight equivalent MoAl8Cu4 cuboctahedra, edges with eight equivalent CuAl8Mo4 cuboctahedra, edges with sixteen equivalent AlAl4Cu4Mo4 cuboctahedra, faces with four equivalent CuAl8Mo4 cuboctahedra, faces with six equivalent MoAl8Cu4 cuboctahedra, and faces with eight equivalent AlAl4Cu4Mo4 cuboctahedra. All Cu–Al bond lengths are 2.75 Å. Al is bonded to four equivalent Mo, four equivalent Cu, and four equivalent Al atoms to form distorted AlAl4Cu4Mo4 cuboctahedra that share corners with twelve equivalent AlAl4Cu4Mo4 cuboctahedra, edges with eight equivalent MoAl8Cu4 cuboctahedra, edges with eight equivalent CuAl8Mo4 cuboctahedra, edges with eight equivalent AlAl4Cu4Mo4 cuboctahedra, faces with four equivalent MoAl8Cu4 cuboctahedra, faces with four equivalent CuAl8Mo4 cuboctahedra, and faces with ten equivalent AlAl4Cu4Mo4 cuboctahedra. All Al–Al bond lengths are 2.72 Å.