LiMg6Cu is beta Cu3Ti-derived structured and crystallizes in the orthorhombic Amm2 space group. Li(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Cu(1) atoms to form LiMg10Cu2 cuboctahedra that share corners with four equivalent Mg(4)Li2Mg10 cuboctahedra; corners with six equivalent Li(1)Mg10Cu2 cuboctahedra; corners with eight equivalent Mg(3)Li2Mg8Cu2 cuboctahedra; edges with two equivalent Mg(4)Li2Mg10 cuboctahedra; edges with four equivalent Mg(3)Li2Mg8Cu2 cuboctahedra; edges with four equivalent Cu(1)Li2Mg10 cuboctahedra; edges with eight Mg(1,1)Li2Mg8Cu2 cuboctahedra; faces with two equivalent Li(1)Mg10Cu2 cuboctahedra; faces with two equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Cu(1)Li2Mg10 cuboctahedra; faces with four equivalent Mg(1)Li2Mg8Cu2 cuboctahedra; faces with four equivalent Mg(3)Li2Mg8Cu2 cuboctahedra; and faces with six equivalent Mg(2)Mg10Cu2 cuboctahedra. There are five inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Cu(1) atoms to form distorted MgLi2Mg8Cu2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Cu2 cuboctahedra; corners with four equivalent Cu(1)Li2Mg10 cuboctahedra; corners with ten Mg(1,1)Li2Mg8Cu2 cuboctahedra; edges with two equivalent Mg(1)Li2Mg8Cu2 cuboctahedra; edges with two equivalent Mg(2)Mg10Cu2 cuboctahedra; edges with two equivalent Cu(1)Li2Mg10 cuboctahedra; edges with four equivalent Li(1)Mg10Cu2 cuboctahedra; edges with four equivalent Mg(4)Li2Mg10 cuboctahedra; edges with four equivalent Mg(3)Li2Mg8Cu2 cuboctahedra; faces with two equivalent Li(1)Mg10Cu2 cuboctahedra; faces with two equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Cu2 cuboctahedra; faces with two equivalent Cu(1)Li2Mg10 cuboctahedra; faces with four equivalent Mg(1)Li2Mg8Cu2 cuboctahedra; and faces with eight equivalent Mg(3)Li2Mg8Cu2 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4); four Mg(1,1); four equivalent Mg(3); and two equivalent Cu(1) atoms to form distorted MgMg10Cu2 cuboctahedra that share corners with four equivalent Cu(1)Li2Mg10 cuboctahedra; corners with six equivalent Mg(2)Mg10Cu2 cuboctahedra; corners with eight Mg(1,1)Li2Mg8Cu2 cuboctahedra; edges with two equivalent Cu(1)Li2Mg10 cuboctahedra; edges with four equivalent Mg(4)Li2Mg10 cuboctahedra; edges with four Mg(1,1)Li2Mg8Cu2 cuboctahedra; edges with eight equivalent Mg(3)Li2Mg8Cu2 cuboctahedra; faces with two equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Cu2 cuboctahedra; faces with two equivalent Cu(1)Li2Mg10 cuboctahedra; faces with four Mg(1,1)Li2Mg8Cu2 cuboctahedra; faces with four equivalent Mg(3)Li2Mg8Cu2 cuboctahedra; and faces with six equivalent Li(1)Mg10Cu2 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Cu(1) atoms to form distorted MgLi2Mg8Cu2 cuboctahedra that share corners with four equivalent Li(1)Mg10Cu2 cuboctahedra; corners with four equivalent Mg(4)Li2Mg10 cuboctahedra; corners with ten equivalent Mg(3)Li2Mg8Cu2 cuboctahedra; edges with two equivalent Li(1)Mg10Cu2 cuboctahedra; edges with two equivalent Mg(4)Li2Mg10 cuboctahedra; edges with two equivalent Mg(3)Li2Mg8Cu2 cuboctahedra; edges with four equivalent Mg(1)Li2Mg8Cu2 cuboctahedra; edges with four equivalent Mg(2)Mg10Cu2 cuboctahedra; edges with four equivalent Cu(1)Li2Mg10 cuboctahedra; faces with two equivalent Li(1)Mg10Cu2 cuboctahedra; faces with two equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Cu2 cuboctahedra; faces with two equivalent Cu(1)Li2Mg10 cuboctahedra; faces with four equivalent Mg(3)Li2Mg8Cu2 cuboctahedra; and faces with eight Mg(1,1)Li2Mg8Cu2 cuboctahedra. In the fourth Mg site, Mg(4) is bonded to two equivalent Li(1), two equivalent Mg(2), four equivalent Mg(1), and four equivalent Mg(3) atoms to form MgLi2Mg10 cuboctahedra that share corners with four equivalent Li(1)Mg10Cu2 cuboctahedra; corners with six equivalent Mg(4)Li2Mg10 cuboctahedra; corners with eight equivalent Mg(3)Li2Mg8Cu2 cuboctahedra; edges with two equivalent Li(1)Mg10Cu2 cuboctahedra; edges with four equivalent Mg(3)Li2Mg8Cu2 cuboctahedra; edges with four equivalent Mg(2)Mg10Cu2 cuboctahedra; edges with eight Mg(1,1)Li2Mg8Cu2 cuboctahedra; faces with two equivalent Li(1)Mg10Cu2 cuboctahedra; faces with two equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Cu2 cuboctahedra; faces with four equivalent Mg(1)Li2Mg8Cu2 cuboctahedra; faces with four equivalent Mg(3)Li2Mg8Cu2 cuboctahedra; and faces with six equivalent Cu(1)Li2Mg10 cuboctahedra. In the fifth Mg site, Mg(1) is bonded to two equivalent Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Cu(1) atoms to form distorted MgLi2Mg8Cu2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Cu2 cuboctahedra; corners with four equivalent Cu(1)Li2Mg10 cuboctahedra; corners with ten Mg(1,1)Li2Mg8Cu2 cuboctahedra; edges with two equivalent Mg(1)Li2Mg8Cu2 cuboctahedra; edges with two equivalent Mg(2)Mg10Cu2 cuboctahedra; edges with two equivalent Cu(1)Li2Mg10 cuboctahedra; edges with four equivalent Li(1)Mg10Cu2 cuboctahedra; edges with four equivalent Mg(4)Li2Mg10 cuboctahedra; edges with four equivalent Mg(3)Li2Mg8Cu2 cuboctahedra; faces with two equivalent Li(1)Mg10Cu2 cuboctahedra; faces with two equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Cu2 cuboctahedra; faces with two equivalent Cu(1)Li2Mg10 cuboctahedra; faces with four Mg(1,1)Li2Mg8Cu2 cuboctahedra; and faces with eight equivalent Mg(3)Li2Mg8Cu2 cuboctahedra. Cu(1) is bonded to two equivalent Li(1); two equivalent Mg(2); four Mg(1,1); and four equivalent Mg(3) atoms to form CuLi2Mg10 cuboctahedra that share corners with four equivalent Mg(2)Mg10Cu2 cuboctahedra; corners with six equivalent Cu(1)Li2Mg10 cuboctahedra; corners with eight Mg(1,1)Li2Mg8Cu2 cuboctahedra; edges with two equivalent Mg(2)Mg10Cu2 cuboctahedra; edges with four equivalent Li(1)Mg10Cu2 cuboctahedra; edges with four Mg(1,1)Li2Mg8Cu2 cuboctahedra; edges with eight equivalent Mg(3)Li2Mg8Cu2 cuboctahedra; faces with two equivalent Li(1)Mg10Cu2 cuboctahedra; faces with two equivalent Mg(2)Mg10Cu2 cuboctahedra; faces with two equivalent Cu(1)Li2Mg10 cuboctahedra; faces with four Mg(1,1)Li2Mg8Cu2 cuboctahedra; faces with four equivalent Mg(3)Li2Mg8Cu2 cuboctahedra; and faces with six equivalent Mg(4)Li2Mg10 cuboctahedra.
LiMg6Cu is beta Cu3Ti-derived structured and crystallizes in the orthorhombic Amm2 space group. Li(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Cu(1) atoms to form LiMg10Cu2 cuboctahedra that share corners with four equivalent Mg(4)Li2Mg10 cuboctahedra; corners with six equivalent Li(1)Mg10Cu2 cuboctahedra; corners with eight equivalent Mg(3)Li2Mg8Cu2 cuboctahedra; edges with two equivalent Mg(4)Li2Mg10 cuboctahedra; edges with four equivalent Mg(3)Li2Mg8Cu2 cuboctahedra; edges with four equivalent Cu(1)Li2Mg10 cuboctahedra; edges with eight Mg(1,1)Li2Mg8Cu2 cuboctahedra; faces with two equivalent Li(1)Mg10Cu2 cuboctahedra; faces with two equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Cu(1)Li2Mg10 cuboctahedra; faces with four equivalent Mg(1)Li2Mg8Cu2 cuboctahedra; faces with four equivalent Mg(3)Li2Mg8Cu2 cuboctahedra; and faces with six equivalent Mg(2)Mg10Cu2 cuboctahedra. Both Li(1)-Mg(4) bond lengths are 3.06 Å. All Li(1)-Mg(1) bond lengths are 3.05 Å. There are two shorter (2.97 Å) and two longer (3.17 Å) Li(1)-Mg(3) bond lengths. Both Li(1)-Cu(1) bond lengths are 3.04 Å. There are five inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Cu(1) atoms to form distorted MgLi2Mg8Cu2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Cu2 cuboctahedra; corners with four equivalent Cu(1)Li2Mg10 cuboctahedra; corners with ten Mg(1,1)Li2Mg8Cu2 cuboctahedra; edges with two equivalent Mg(1)Li2Mg8Cu2 cuboctahedra; edges with two equivalent Mg(2)Mg10Cu2 cuboctahedra; edges with two equivalent Cu(1)Li2Mg10 cuboctahedra; edges with four equivalent Li(1)Mg10Cu2 cuboctahedra; edges with four equivalent Mg(4)Li2Mg10 cuboctahedra; edges with four equivalent Mg(3)Li2Mg8Cu2 cuboctahedra; faces with two equivalent Li(1)Mg10Cu2 cuboctahedra; faces with two equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Cu2 cuboctahedra; faces with two equivalent Cu(1)Li2Mg10 cuboctahedra; faces with four equivalent Mg(1)Li2Mg8Cu2 cuboctahedra; and faces with eight equivalent Mg(3)Li2Mg8Cu2 cuboctahedra. There is one shorter (3.02 Å) and one longer (3.10 Å) Mg(1)-Mg(1) bond length. There is one shorter (3.05 Å) and one longer (3.09 Å) Mg(1)-Mg(2) bond length. Both Mg(1)-Mg(3) bond lengths are 3.10 Å. Both Mg(1)-Mg(4) bond lengths are 3.06 Å. There is one shorter (3.05 Å) and one longer (3.09 Å) Mg(1)-Cu(1) bond length. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4); four Mg(1,1); four equivalent Mg(3); and two equivalent Cu(1) atoms to form distorted MgMg10Cu2 cuboctahedra that share corners with four equivalent Cu(1)Li2Mg10 cuboctahedra; corners with six equivalent Mg(2)Mg10Cu2 cuboctahedra; corners with eight Mg(1,1)Li2Mg8Cu2 cuboctahedra; edges with two equivalent Cu(1)Li2Mg10 cuboctahedra; edges with four equivalent Mg(4)Li2Mg10 cuboctahedra; edges with four Mg(1,1)Li2Mg8Cu2 cuboctahedra; edges with eight equivalent Mg(3)Li2Mg8Cu2 cuboctahedra; faces with two equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Cu2 cuboctahedra; faces with two equivalent Cu(1)Li2Mg10 cuboctahedra; faces with four Mg(1,1)Li2Mg8Cu2 cuboctahedra; faces with four equivalent Mg(3)Li2Mg8Cu2 cuboctahedra; and faces with six equivalent Li(1)Mg10Cu2 cuboctahedra. Both Mg(2)-Mg(4) bond lengths are 3.05 Å. The Mg(2)-Mg(1) bond length is 3.09 Å. All Mg(2)-Mg(3) bond lengths are 3.07 Å. Both Mg(2)-Cu(1) bond lengths are 3.06 Å. In the third Mg site, Mg(3) is bonded to two equivalent Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Cu(1) atoms to form distorted MgLi2Mg8Cu2 cuboctahedra that share corners with four equivalent Li(1)Mg10Cu2 cuboctahedra; corners with four equivalent Mg(4)Li2Mg10 cuboctahedra; corners with ten equivalent Mg(3)Li2Mg8Cu2 cuboctahedra; edges with two equivalent Li(1)Mg10Cu2 cuboctahedra; edges with two equivalent Mg(4)Li2Mg10 cuboctahedra; edges with two equivalent Mg(3)Li2Mg8Cu2 cuboctahedra; edges with four equivalent Mg(1)Li2Mg8Cu2 cuboctahedra; edges with four equivalent Mg(2)Mg10Cu2 cuboctahedra; edges with four equivalent Cu(1)Li2Mg10 cuboctahedra; faces with two equivalent Li(1)Mg10Cu2 cuboctahedra; faces with two equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Cu2 cuboctahedra; faces with two equivalent Cu(1)Li2Mg10 cuboctahedra; faces with four equivalent Mg(3)Li2Mg8Cu2 cuboctahedra; and faces with eight Mg(1,1)Li2Mg8Cu2 cuboctahedra. Both Mg(3)-Mg(1) bond lengths are 3.10 Å. There is one shorter (2.95 Å) and one longer (3.18 Å) Mg(3)-Mg(3) bond length. There is one shorter (3.06 Å) and one longer (3.08 Å) Mg(3)-Mg(4) bond length. Both Mg(3)-Cu(1) bond lengths are 3.01 Å. In the fourth Mg site, Mg(4) is bonded to two equivalent Li(1), two equivalent Mg(2), four equivalent Mg(1), and four equivalent Mg(3) atoms to form MgLi2Mg10 cuboctahedra that share corners with four equivalent Li(1)Mg10Cu2 cuboctahedra; corners with six equivalent Mg(4)Li2Mg10 cuboctahedra; corners with eight equivalent Mg(3)Li2Mg8Cu2 cuboctahedra; edges with two equivalent Li(1)Mg10Cu2 cuboctahedra; edges with four equivalent Mg(3)Li2Mg8Cu2 cuboctahedra; edges with four equivalent Mg(2)Mg10Cu2 cuboctahedra; edges with eight Mg(1,1)Li2Mg8Cu2 cuboctahedra; faces with two equivalent Li(1)Mg10Cu2 cuboctahedra; faces with two equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Cu2 cuboctahedra; faces with four equivalent Mg(1)Li2Mg8Cu2 cuboctahedra; faces with four equivalent Mg(3)Li2Mg8Cu2 cuboctahedra; and faces with six equivalent Cu(1)Li2Mg10 cuboctahedra. In the fifth Mg site, Mg(1) is bonded to two equivalent Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Cu(1) atoms to form distorted MgLi2Mg8Cu2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Cu2 cuboctahedra; corners with four equivalent Cu(1)Li2Mg10 cuboctahedra; corners with ten Mg(1,1)Li2Mg8Cu2 cuboctahedra; edges with two equivalent Mg(1)Li2Mg8Cu2 cuboctahedra; edges with two equivalent Mg(2)Mg10Cu2 cuboctahedra; edges with two equivalent Cu(1)Li2Mg10 cuboctahedra; edges with four equivalent Li(1)Mg10Cu2 cuboctahedra; edges with four equivalent Mg(4)Li2Mg10 cuboctahedra; edges with four equivalent Mg(3)Li2Mg8Cu2 cuboctahedra; faces with two equivalent Li(1)Mg10Cu2 cuboctahedra; faces with two equivalent Mg(4)Li2Mg10 cuboctahedra; faces with two equivalent Mg(2)Mg10Cu2 cuboctahedra; faces with two equivalent Cu(1)Li2Mg10 cuboctahedra; faces with four Mg(1,1)Li2Mg8Cu2 cuboctahedra; and faces with eight equivalent Mg(3)Li2Mg8Cu2 cuboctahedra. Both Mg(1)-Li(1) bond lengths are 3.05 Å. There is one shorter (3.02 Å) and one longer (3.10 Å) Mg(1)-Mg(1) bond length. Both Mg(1)-Mg(4) bond lengths are 3.06 Å. There is one shorter (3.05 Å) and one longer (3.09 Å) Mg(1)-Cu(1) bond length. Cu(1) is bonded to two equivalent Li(1); two equivalent Mg(2); four Mg(1,1); and four equivalent Mg(3) atoms to form CuLi2Mg10 cuboctahedra that share corners with four equivalent Mg(2)Mg10Cu2 cuboctahedra; corners with six equivalent Cu(1)Li2Mg10 cuboctahedra; corners with eight Mg(1,1)Li2Mg8Cu2 cuboctahedra; edges with two equivalent Mg(2)Mg10Cu2 cuboctahedra; edges with four equivalent Li(1)Mg10Cu2 cuboctahedra; edges with four Mg(1,1)Li2Mg8Cu2 cuboctahedra; edges with eight equivalent Mg(3)Li2Mg8Cu2 cuboctahedra; faces with two equivalent Li(1)Mg10Cu2 cuboctahedra; faces with two equivalent Mg(2)Mg10Cu2 cuboctahedra; faces with two equivalent Cu(1)Li2Mg10 cuboctahedra; faces with four Mg(1,1)Li2Mg8Cu2 cuboctahedra; faces with four equivalent Mg(3)Li2Mg8Cu2 cuboctahedra; and faces with six equivalent Mg(4)Li2Mg10 cuboctahedra.