Mg3Lu is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to eight Mg(1,1,1) and four equivalent Lu(1) atoms to form MgLu4Mg8 cuboctahedra that share corners with four equivalent Lu(1)Mg12 cuboctahedra; corners with fourteen Mg(1,1)Lu4Mg8 cuboctahedra; edges with six equivalent Lu(1)Mg12 cuboctahedra; edges with twelve Mg(1,1,1)Lu4Mg8 cuboctahedra; faces with four equivalent Lu(1)Mg12 cuboctahedra; and faces with sixteen Mg(1,1,1)Lu4Mg8 cuboctahedra. In the second Mg site, Mg(1) is bonded to eight equivalent Mg(1) and four equivalent Lu(1) atoms to form MgLu4Mg8 cuboctahedra that share corners with four equivalent Lu(1)Mg12 cuboctahedra; corners with fourteen Mg(1,1)Lu4Mg8 cuboctahedra; edges with six equivalent Lu(1)Mg12 cuboctahedra; edges with twelve equivalent Mg(1)Lu4Mg8 cuboctahedra; faces with four equivalent Lu(1)Mg12 cuboctahedra; and faces with sixteen Mg(1,1,1)Lu4Mg8 cuboctahedra. In the third Mg site, Mg(1) is bonded to eight equivalent Mg(1) and four equivalent Lu(1) atoms to form MgLu4Mg8 cuboctahedra that share corners with four equivalent Lu(1)Mg12 cuboctahedra; corners with fourteen Mg(1,1)Lu4Mg8 cuboctahedra; edges with six equivalent Lu(1)Mg12 cuboctahedra; edges with twelve equivalent Mg(1)Lu4Mg8 cuboctahedra; faces with four equivalent Lu(1)Mg12 cuboctahedra; and faces with sixteen Mg(1,1,1)Lu4Mg8 cuboctahedra. Lu(1) is bonded to twelve Mg(1,1,1) atoms to form LuMg12 cuboctahedra that share corners with six equivalent Lu(1)Mg12 cuboctahedra; corners with twelve Mg(1,1)Lu4Mg8 cuboctahedra; edges with eighteen Mg(1,1,1)Lu4Mg8 cuboctahedra; faces with eight equivalent Lu(1)Mg12 cuboctahedra; and faces with twelve Mg(1,1,1)Lu4Mg8 cuboctahedra.
Mg3Lu is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to eight Mg(1,1,1) and four equivalent Lu(1) atoms to form MgLu4Mg8 cuboctahedra that share corners with four equivalent Lu(1)Mg12 cuboctahedra; corners with fourteen Mg(1,1)Lu4Mg8 cuboctahedra; edges with six equivalent Lu(1)Mg12 cuboctahedra; edges with twelve Mg(1,1,1)Lu4Mg8 cuboctahedra; faces with four equivalent Lu(1)Mg12 cuboctahedra; and faces with sixteen Mg(1,1,1)Lu4Mg8 cuboctahedra. There are a spread of Mg(1)-Mg(1,1,1) bond distances ranging from 3.19-3.32 Å. There are two shorter (3.22 Å) and two longer (3.28 Å) Mg(1)-Lu(1) bond lengths. In the second Mg site, Mg(1) is bonded to eight equivalent Mg(1) and four equivalent Lu(1) atoms to form MgLu4Mg8 cuboctahedra that share corners with four equivalent Lu(1)Mg12 cuboctahedra; corners with fourteen Mg(1,1)Lu4Mg8 cuboctahedra; edges with six equivalent Lu(1)Mg12 cuboctahedra; edges with twelve equivalent Mg(1)Lu4Mg8 cuboctahedra; faces with four equivalent Lu(1)Mg12 cuboctahedra; and faces with sixteen Mg(1,1,1)Lu4Mg8 cuboctahedra. There are two shorter (3.22 Å) and two longer (3.28 Å) Mg(1)-Lu(1) bond lengths. In the third Mg site, Mg(1) is bonded to eight equivalent Mg(1) and four equivalent Lu(1) atoms to form MgLu4Mg8 cuboctahedra that share corners with four equivalent Lu(1)Mg12 cuboctahedra; corners with fourteen Mg(1,1)Lu4Mg8 cuboctahedra; edges with six equivalent Lu(1)Mg12 cuboctahedra; edges with twelve equivalent Mg(1)Lu4Mg8 cuboctahedra; faces with four equivalent Lu(1)Mg12 cuboctahedra; and faces with sixteen Mg(1,1,1)Lu4Mg8 cuboctahedra. There are two shorter (3.22 Å) and two longer (3.28 Å) Mg(1)-Lu(1) bond lengths. Lu(1) is bonded to twelve Mg(1,1,1) atoms to form LuMg12 cuboctahedra that share corners with six equivalent Lu(1)Mg12 cuboctahedra; corners with twelve Mg(1,1)Lu4Mg8 cuboctahedra; edges with eighteen Mg(1,1,1)Lu4Mg8 cuboctahedra; faces with eight equivalent Lu(1)Mg12 cuboctahedra; and faces with twelve Mg(1,1,1)Lu4Mg8 cuboctahedra.