Neutron powder diffraction and first-principles computational studies of CuLixMg2−x (x≠0.08), CuMg2, and Cu2Mg

CuLixMg2−x with x=0.08 crystallizes in a P6222 hexagonal structure in which Li (red) will substitute Mg1 (1/2, 0, z) sites (Mg-grey). Cu atoms are represented by black spheres and empty spaces by transparent ones.