Mg14TiCu crystallizes in the orthorhombic Amm2 space group. There are seven inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(2), two equivalent Mg(6), four equivalent Mg(4), and four equivalent Mg(5) atoms to form MgMg12 cuboctahedra that share corners with four equivalent Ti(1)Mg10Cu2 cuboctahedra, corners with six equivalent Mg(1)Mg12 cuboctahedra, corners with eight equivalent Mg(3)Mg8Ti2Cu2 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, edges with eight equivalent Mg(5)Mg10TiCu cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent Cu(1)Mg10Ti2 cuboctahedra, faces with four equivalent Mg(5)Mg10TiCu cuboctahedra, faces with four equivalent Mg(4)Mg12 cuboctahedra, and faces with six equivalent Mg(7)Mg11Ti cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(7), four equivalent Mg(4), and four equivalent Mg(5) atoms to form MgMg12 cuboctahedra that share corners with four equivalent Cu(1)Mg10Ti2 cuboctahedra, corners with six equivalent Mg(2)Mg12 cuboctahedra, corners with eight equivalent Mg(3)Mg8Ti2Cu2 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with four equivalent Mg(7)Mg11Ti cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, edges with eight equivalent Mg(5)Mg10TiCu cuboctahedra, faces with two equivalent Mg(7)Mg11Ti cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Ti(1)Mg10Cu2 cuboctahedra, faces with four equivalent Mg(5)Mg10TiCu cuboctahedra, and faces with four equivalent Mg(4)Mg12 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Mg(3), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(7), two equivalent Ti(1), and two equivalent Cu(1) atoms to form distorted MgMg8Ti2Cu2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra, corners with four equivalent Mg(2)Mg12 cuboctahedra, corners with four equivalent Mg(4)Mg12 cuboctahedra, corners with six equivalent Mg(3)Mg8Ti2Cu2 cuboctahedra, edges with two equivalent Mg(3)Mg8Ti2Cu2 cuboctahedra, edges with two equivalent Ti(1)Mg10Cu2 cuboctahedra, edges with two equivalent Cu(1)Mg10Ti2 cuboctahedra, edges with four equivalent Mg(5)Mg10TiCu cuboctahedra, edges with four equivalent Mg(7)Mg11Ti cuboctahedra, faces with two equivalent Mg(7)Mg11Ti cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(3)Mg8Ti2Cu2 cuboctahedra, faces with two equivalent Ti(1)Mg10Cu2 cuboctahedra, faces with two equivalent Cu(1)Mg10Ti2 cuboctahedra, and faces with eight equivalent Mg(5)Mg10TiCu cuboctahedra. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), two equivalent Mg(6), and two equivalent Mg(7) atoms to form MgMg12 cuboctahedra that share corners with four equivalent Mg(3)Mg8Ti2Cu2 cuboctahedra, corners with four equivalent Ti(1)Mg10Cu2 cuboctahedra, corners with four equivalent Cu(1)Mg10Ti2 cuboctahedra, corners with six equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with two equivalent Mg(4)Mg12 cuboctahedra, edges with four equivalent Mg(5)Mg10TiCu cuboctahedra, edges with four equivalent Mg(7)Mg11Ti cuboctahedra, faces with two equivalent Mg(7)Mg11Ti cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(3)Mg8Ti2Cu2 cuboctahedra, and faces with eight equivalent Mg(5)Mg10TiCu cuboctahedra. In the fifth Mg site, Mg(5) is bonded to one Mg(1), one Mg(2), one Mg(3), one Mg(4), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(7), one Ti(1), and one Cu(1) atom to form distorted MgMg10TiCu cuboctahedra that share corners with four equivalent Mg(7)Mg11Ti cuboctahedra, corners with ten equivalent Mg(5)Mg10TiCu cuboctahedra, edges with two equivalent Mg(5)Mg10TiCu cuboctahedra, edges with two equivalent Mg(7)Mg11Ti cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with two equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Mg(3)Mg8Ti2Cu2 cuboctahedra, edges with two equivalent Ti(1)Mg10Cu2 cuboctahedra, edges with two equivalent Cu(1)Mg10Ti2 cuboctahedra,  a faceface with one Mg(1)Mg12 cuboctahedra,  a faceface with one Mg(2)Mg12 cuboctahedra,  a faceface with one Ti(1)Mg10Cu2 cuboctahedra,  a faceface with one Cu(1)Mg10Ti2 cuboctahedra, faces with two equivalent Mg(7)Mg11Ti cuboctahedra, faces with four equivalent Mg(5)Mg10TiCu cuboctahedra, faces with four equivalent Mg(4)Mg12 cuboctahedra, and faces with four equivalent Mg(3)Mg8Ti2Cu2 cuboctahedra. In the sixth Mg site, Mg(6) is bonded in a distorted single-bond geometry to one Mg(1), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(7), four equivalent Mg(5), and one Cu(1) atom. In the seventh Mg site, Mg(7) is bonded to one Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(6), four equivalent Mg(5), and one Ti(1) atom to form distorted MgMg11Ti cuboctahedra that share corners with six equivalent Mg(7)Mg11Ti cuboctahedra, corners with eight equivalent Mg(5)Mg10TiCu cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with two equivalent Ti(1)Mg10Cu2 cuboctahedra, edges with four equivalent Mg(5)Mg10TiCu cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, edges with four equivalent Mg(3)Mg8Ti2Cu2 cuboctahedra,  a faceface with one Mg(2)Mg12 cuboctahedra,  a faceface with one Ti(1)Mg10Cu2 cuboctahedra, faces with two equivalent Mg(7)Mg11Ti cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(3)Mg8Ti2Cu2 cuboctahedra, faces with three equivalent Mg(1)Mg12 cuboctahedra, faces with three equivalent Cu(1)Mg10Ti2 cuboctahedra, and faces with four equivalent Mg(5)Mg10TiCu cuboctahedra. Ti(1) is bonded to two equivalent Mg(7), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Cu(1) atoms to form TiMg10Cu2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra, corners with six equivalent Ti(1)Mg10Cu2 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Cu(1)Mg10Ti2 cuboctahedra, edges with four equivalent Mg(7)Mg11Ti cuboctahedra, edges with four equivalent Mg(3)Mg8Ti2Cu2 cuboctahedra, edges with eight equivalent Mg(5)Mg10TiCu cuboctahedra, faces with two equivalent Mg(7)Mg11Ti cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent Cu(1)Mg10Ti2 cuboctahedra, faces with four equivalent Mg(5)Mg10TiCu cuboctahedra, and faces with four equivalent Mg(3)Mg8Ti2Cu2 cuboctahedra. Cu(1) is bonded to two equivalent Mg(6), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Ti(1) atoms to form CuMg10Ti2 cuboctahedra that share corners with four equivalent Mg(2)Mg12 cuboctahedra, corners with six equivalent Cu(1)Mg10Ti2 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Ti(1)Mg10Cu2 cuboctahedra, edges with four equivalent Mg(3)Mg8Ti2Cu2 cuboctahedra, edges with eight equivalent Mg(5)Mg10TiCu cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Ti(1)Mg10Cu2 cuboctahedra, faces with four equivalent Mg(5)Mg10TiCu cuboctahedra, faces with four equivalent Mg(3)Mg8Ti2Cu2 cuboctahedra, and faces with six equivalent Mg(7)Mg11Ti cuboctahedra.
Mg14TiCu crystallizes in the orthorhombic Amm2 space group. There are seven inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(2), two equivalent Mg(6), four equivalent Mg(4), and four equivalent Mg(5) atoms to form MgMg12 cuboctahedra that share corners with four equivalent Ti(1)Mg10Cu2 cuboctahedra, corners with six equivalent Mg(1)Mg12 cuboctahedra, corners with eight equivalent Mg(3)Mg8Ti2Cu2 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, edges with eight equivalent Mg(5)Mg10TiCu cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent Cu(1)Mg10Ti2 cuboctahedra, faces with four equivalent Mg(5)Mg10TiCu cuboctahedra, faces with four equivalent Mg(4)Mg12 cuboctahedra, and faces with six equivalent Mg(7)Mg11Ti cuboctahedra. Both Mg(1)-Mg(2) bond lengths are 3.12 Å. Both Mg(1)-Mg(6) bond lengths are 3.16 Å. There are two shorter (3.13 Å) and two longer (3.15 Å) Mg(1)-Mg(4) bond lengths. All Mg(1)-Mg(5) bond lengths are 3.17 Å. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(7), four equivalent Mg(4), and four equivalent Mg(5) atoms to form MgMg12 cuboctahedra that share corners with four equivalent Cu(1)Mg10Ti2 cuboctahedra, corners with six equivalent Mg(2)Mg12 cuboctahedra, corners with eight equivalent Mg(3)Mg8Ti2Cu2 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with four equivalent Mg(7)Mg11Ti cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, edges with eight equivalent Mg(5)Mg10TiCu cuboctahedra, faces with two equivalent Mg(7)Mg11Ti cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Ti(1)Mg10Cu2 cuboctahedra, faces with four equivalent Mg(5)Mg10TiCu cuboctahedra, and faces with four equivalent Mg(4)Mg12 cuboctahedra. Both Mg(2)-Mg(7) bond lengths are 3.09 Å. There are two shorter (3.12 Å) and two longer (3.17 Å) Mg(2)-Mg(4) bond lengths. All Mg(2)-Mg(5) bond lengths are 3.17 Å. In the third Mg site, Mg(3) is bonded to two equivalent Mg(3), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(7), two equivalent Ti(1), and two equivalent Cu(1) atoms to form distorted MgMg8Ti2Cu2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra, corners with four equivalent Mg(2)Mg12 cuboctahedra, corners with four equivalent Mg(4)Mg12 cuboctahedra, corners with six equivalent Mg(3)Mg8Ti2Cu2 cuboctahedra, edges with two equivalent Mg(3)Mg8Ti2Cu2 cuboctahedra, edges with two equivalent Ti(1)Mg10Cu2 cuboctahedra, edges with two equivalent Cu(1)Mg10Ti2 cuboctahedra, edges with four equivalent Mg(5)Mg10TiCu cuboctahedra, edges with four equivalent Mg(7)Mg11Ti cuboctahedra, faces with two equivalent Mg(7)Mg11Ti cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(3)Mg8Ti2Cu2 cuboctahedra, faces with two equivalent Ti(1)Mg10Cu2 cuboctahedra, faces with two equivalent Cu(1)Mg10Ti2 cuboctahedra, and faces with eight equivalent Mg(5)Mg10TiCu cuboctahedra. There is one shorter (3.04 Å) and one longer (3.21 Å) Mg(3)-Mg(3) bond length. Both Mg(3)-Mg(5) bond lengths are 3.01 Å. Both Mg(3)-Mg(6) bond lengths are 3.04 Å. Both Mg(3)-Mg(7) bond lengths are 3.07 Å. There is one shorter (3.10 Å) and one longer (3.19 Å) Mg(3)-Ti(1) bond length. There is one shorter (3.06 Å) and one longer (3.22 Å) Mg(3)-Cu(1) bond length. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), two equivalent Mg(6), and two equivalent Mg(7) atoms to form MgMg12 cuboctahedra that share corners with four equivalent Mg(3)Mg8Ti2Cu2 cuboctahedra, corners with four equivalent Ti(1)Mg10Cu2 cuboctahedra, corners with four equivalent Cu(1)Mg10Ti2 cuboctahedra, corners with six equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with two equivalent Mg(4)Mg12 cuboctahedra, edges with four equivalent Mg(5)Mg10TiCu cuboctahedra, edges with four equivalent Mg(7)Mg11Ti cuboctahedra, faces with two equivalent Mg(7)Mg11Ti cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(3)Mg8Ti2Cu2 cuboctahedra, and faces with eight equivalent Mg(5)Mg10TiCu cuboctahedra. There is one shorter (3.11 Å) and one longer (3.14 Å) Mg(4)-Mg(4) bond length. Both Mg(4)-Mg(5) bond lengths are 3.20 Å. Both Mg(4)-Mg(6) bond lengths are 3.19 Å. Both Mg(4)-Mg(7) bond lengths are 3.11 Å. In the fifth Mg site, Mg(5) is bonded to one Mg(1), one Mg(2), one Mg(3), one Mg(4), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(7), one Ti(1), and one Cu(1) atom to form distorted MgMg10TiCu cuboctahedra that share corners with four equivalent Mg(7)Mg11Ti cuboctahedra, corners with ten equivalent Mg(5)Mg10TiCu cuboctahedra, edges with two equivalent Mg(5)Mg10TiCu cuboctahedra, edges with two equivalent Mg(7)Mg11Ti cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with two equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Mg(3)Mg8Ti2Cu2 cuboctahedra, edges with two equivalent Ti(1)Mg10Cu2 cuboctahedra, edges with two equivalent Cu(1)Mg10Ti2 cuboctahedra,  a faceface with one Mg(1)Mg12 cuboctahedra,  a faceface with one Mg(2)Mg12 cuboctahedra,  a faceface with one Ti(1)Mg10Cu2 cuboctahedra,  a faceface with one Cu(1)Mg10Ti2 cuboctahedra, faces with two equivalent Mg(7)Mg11Ti cuboctahedra, faces with four equivalent Mg(5)Mg10TiCu cuboctahedra, faces with four equivalent Mg(4)Mg12 cuboctahedra, and faces with four equivalent Mg(3)Mg8Ti2Cu2 cuboctahedra. There is one shorter (3.11 Å) and one longer (3.13 Å) Mg(5)-Mg(5) bond length. There is one shorter (3.07 Å) and one longer (3.21 Å) Mg(5)-Mg(6) bond length. There is one shorter (3.09 Å) and one longer (3.20 Å) Mg(5)-Mg(7) bond length. The Mg(5)-Ti(1) bond length is 3.00 Å. The Mg(5)-Cu(1) bond length is 2.97 Å. In the sixth Mg site, Mg(6) is bonded in a distorted single-bond geometry to one Mg(1), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(7), four equivalent Mg(5), and one Cu(1) atom. Both Mg(6)-Mg(7) bond lengths are 3.12 Å. The Mg(6)-Cu(1) bond length is 3.00 Å. In the seventh Mg site, Mg(7) is bonded to one Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(6), four equivalent Mg(5), and one Ti(1) atom to form distorted MgMg11Ti cuboctahedra that share corners with six equivalent Mg(7)Mg11Ti cuboctahedra, corners with eight equivalent Mg(5)Mg10TiCu cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with two equivalent Ti(1)Mg10Cu2 cuboctahedra, edges with four equivalent Mg(5)Mg10TiCu cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, edges with four equivalent Mg(3)Mg8Ti2Cu2 cuboctahedra,  a faceface with one Mg(2)Mg12 cuboctahedra,  a faceface with one Ti(1)Mg10Cu2 cuboctahedra, faces with two equivalent Mg(7)Mg11Ti cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(3)Mg8Ti2Cu2 cuboctahedra, faces with three equivalent Mg(1)Mg12 cuboctahedra, faces with three equivalent Cu(1)Mg10Ti2 cuboctahedra, and faces with four equivalent Mg(5)Mg10TiCu cuboctahedra. The Mg(7)-Ti(1) bond length is 3.03 Å. Ti(1) is bonded to two equivalent Mg(7), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Cu(1) atoms to form TiMg10Cu2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra, corners with six equivalent Ti(1)Mg10Cu2 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Cu(1)Mg10Ti2 cuboctahedra, edges with four equivalent Mg(7)Mg11Ti cuboctahedra, edges with four equivalent Mg(3)Mg8Ti2Cu2 cuboctahedra, edges with eight equivalent Mg(5)Mg10TiCu cuboctahedra, faces with two equivalent Mg(7)Mg11Ti cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent Cu(1)Mg10Ti2 cuboctahedra, faces with four equivalent Mg(5)Mg10TiCu cuboctahedra, and faces with four equivalent Mg(3)Mg8Ti2Cu2 cuboctahedra. Both Ti(1)-Cu(1) bond lengths are 3.12 Å. Cu(1) is bonded to two equivalent Mg(6), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Ti(1) atoms to form CuMg10Ti2 cuboctahedra that share corners with four equivalent Mg(2)Mg12 cuboctahedra, corners with six equivalent Cu(1)Mg10Ti2 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Ti(1)Mg10Cu2 cuboctahedra, edges with four equivalent Mg(3)Mg8Ti2Cu2 cuboctahedra, edges with eight equivalent Mg(5)Mg10TiCu cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Ti(1)Mg10Cu2 cuboctahedra, faces with four equivalent Mg(5)Mg10TiCu cuboctahedra, faces with four equivalent Mg(3)Mg8Ti2Cu2 cuboctahedra, and faces with six equivalent Mg(7)Mg11Ti cuboctahedra.