Mg3In is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to eight equivalent Mg(2) and four equivalent In(1) atoms to form MgMg8In4 cuboctahedra that share corners with four equivalent Mg(1)Mg8In4 cuboctahedra, corners with eight equivalent In(1)Mg12 cuboctahedra, edges with eight equivalent Mg(1)Mg8In4 cuboctahedra, edges with sixteen equivalent Mg(2)Mg8In4 cuboctahedra, faces with four equivalent Mg(1)Mg8In4 cuboctahedra, faces with six equivalent In(1)Mg12 cuboctahedra, and faces with eight equivalent Mg(2)Mg8In4 cuboctahedra. In the second Mg site, Mg(2) is bonded to four equivalent Mg(1), four equivalent Mg(2), and four equivalent In(1) atoms to form distorted MgMg8In4 cuboctahedra that share corners with twelve equivalent Mg(2)Mg8In4 cuboctahedra, edges with eight equivalent Mg(1)Mg8In4 cuboctahedra, edges with eight equivalent Mg(2)Mg8In4 cuboctahedra, edges with eight equivalent In(1)Mg12 cuboctahedra, faces with four equivalent Mg(1)Mg8In4 cuboctahedra, faces with four equivalent In(1)Mg12 cuboctahedra, and faces with ten equivalent Mg(2)Mg8In4 cuboctahedra. In(1) is bonded to four equivalent Mg(1) and eight equivalent Mg(2) atoms to form InMg12 cuboctahedra that share corners with four equivalent In(1)Mg12 cuboctahedra, corners with eight equivalent Mg(1)Mg8In4 cuboctahedra, edges with eight equivalent In(1)Mg12 cuboctahedra, edges with sixteen equivalent Mg(2)Mg8In4 cuboctahedra, faces with four equivalent In(1)Mg12 cuboctahedra, faces with six equivalent Mg(1)Mg8In4 cuboctahedra, and faces with eight equivalent Mg(2)Mg8In4 cuboctahedra.
Mg3In is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to eight equivalent Mg(2) and four equivalent In(1) atoms to form MgMg8In4 cuboctahedra that share corners with four equivalent Mg(1)Mg8In4 cuboctahedra, corners with eight equivalent In(1)Mg12 cuboctahedra, edges with eight equivalent Mg(1)Mg8In4 cuboctahedra, edges with sixteen equivalent Mg(2)Mg8In4 cuboctahedra, faces with four equivalent Mg(1)Mg8In4 cuboctahedra, faces with six equivalent In(1)Mg12 cuboctahedra, and faces with eight equivalent Mg(2)Mg8In4 cuboctahedra. All Mg(1)-Mg(2) bond lengths are 3.15 Å. All Mg(1)-In(1) bond lengths are 3.18 Å. In the second Mg site, Mg(2) is bonded to four equivalent Mg(1), four equivalent Mg(2), and four equivalent In(1) atoms to form distorted MgMg8In4 cuboctahedra that share corners with twelve equivalent Mg(2)Mg8In4 cuboctahedra, edges with eight equivalent Mg(1)Mg8In4 cuboctahedra, edges with eight equivalent Mg(2)Mg8In4 cuboctahedra, edges with eight equivalent In(1)Mg12 cuboctahedra, faces with four equivalent Mg(1)Mg8In4 cuboctahedra, faces with four equivalent In(1)Mg12 cuboctahedra, and faces with ten equivalent Mg(2)Mg8In4 cuboctahedra. All Mg(2)-Mg(2) bond lengths are 3.18 Å. All Mg(2)-In(1) bond lengths are 3.15 Å. In(1) is bonded to four equivalent Mg(1) and eight equivalent Mg(2) atoms to form InMg12 cuboctahedra that share corners with four equivalent In(1)Mg12 cuboctahedra, corners with eight equivalent Mg(1)Mg8In4 cuboctahedra, edges with eight equivalent In(1)Mg12 cuboctahedra, edges with sixteen equivalent Mg(2)Mg8In4 cuboctahedra, faces with four equivalent In(1)Mg12 cuboctahedra, faces with six equivalent Mg(1)Mg8In4 cuboctahedra, and faces with eight equivalent Mg(2)Mg8In4 cuboctahedra.