Mg6WSb crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent W(1), and two equivalent Sb(1) atoms to form distorted MgMg8Sb2W2 cuboctahedra that share corners with four equivalent W(1)Mg10Sb2 cuboctahedra, corners with four equivalent Sb(1)Mg10W2 cuboctahedra, corners with ten equivalent Mg(1)Mg8Sb2W2 cuboctahedra, edges with two equivalent Mg(1)Mg8Sb2W2 cuboctahedra, edges with two equivalent W(1)Mg10Sb2 cuboctahedra, edges with two equivalent Sb(1)Mg10W2 cuboctahedra, edges with four equivalent Mg(4)Mg10Sb2 cuboctahedra, edges with four equivalent Mg(3)Mg10W2 cuboctahedra, edges with four equivalent Mg(2)Mg8Sb2W2 cuboctahedra, faces with two equivalent Mg(4)Mg10Sb2 cuboctahedra, faces with two equivalent Mg(3)Mg10W2 cuboctahedra, faces with two equivalent W(1)Mg10Sb2 cuboctahedra, faces with two equivalent Sb(1)Mg10W2 cuboctahedra, faces with four equivalent Mg(1)Mg8Sb2W2 cuboctahedra, and faces with eight equivalent Mg(2)Mg8Sb2W2 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent W(1), and two equivalent Sb(1) atoms to form distorted MgMg8Sb2W2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Sb2 cuboctahedra, corners with four equivalent Mg(3)Mg10W2 cuboctahedra, corners with ten equivalent Mg(2)Mg8Sb2W2 cuboctahedra, edges with two equivalent Mg(4)Mg10Sb2 cuboctahedra, edges with two equivalent Mg(3)Mg10W2 cuboctahedra, edges with two equivalent Mg(2)Mg8Sb2W2 cuboctahedra, edges with four equivalent Mg(1)Mg8Sb2W2 cuboctahedra, edges with four equivalent W(1)Mg10Sb2 cuboctahedra, edges with four equivalent Sb(1)Mg10W2 cuboctahedra, faces with two equivalent Mg(4)Mg10Sb2 cuboctahedra, faces with two equivalent Mg(3)Mg10W2 cuboctahedra, faces with two equivalent W(1)Mg10Sb2 cuboctahedra, faces with two equivalent Sb(1)Mg10W2 cuboctahedra, faces with four equivalent Mg(2)Mg8Sb2W2 cuboctahedra, and faces with eight equivalent Mg(1)Mg8Sb2W2 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent W(1) atoms to form distorted MgMg10W2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Sb2 cuboctahedra, corners with six equivalent Mg(3)Mg10W2 cuboctahedra, corners with eight equivalent Mg(2)Mg8Sb2W2 cuboctahedra, edges with two equivalent Mg(4)Mg10Sb2 cuboctahedra, edges with four equivalent Mg(2)Mg8Sb2W2 cuboctahedra, edges with four equivalent W(1)Mg10Sb2 cuboctahedra, edges with eight equivalent Mg(1)Mg8Sb2W2 cuboctahedra, faces with two equivalent Mg(4)Mg10Sb2 cuboctahedra, faces with two equivalent Mg(3)Mg10W2 cuboctahedra, faces with two equivalent W(1)Mg10Sb2 cuboctahedra, faces with four equivalent Mg(1)Mg8Sb2W2 cuboctahedra, faces with four equivalent Mg(2)Mg8Sb2W2 cuboctahedra, and faces with six equivalent Sb(1)Mg10W2 cuboctahedra. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Sb(1) atoms to form distorted MgMg10Sb2 cuboctahedra that share corners with four equivalent Mg(3)Mg10W2 cuboctahedra, corners with six equivalent Mg(4)Mg10Sb2 cuboctahedra, corners with eight equivalent Mg(2)Mg8Sb2W2 cuboctahedra, edges with two equivalent Mg(3)Mg10W2 cuboctahedra, edges with four equivalent Mg(2)Mg8Sb2W2 cuboctahedra, edges with four equivalent Sb(1)Mg10W2 cuboctahedra, edges with eight equivalent Mg(1)Mg8Sb2W2 cuboctahedra, faces with two equivalent Mg(4)Mg10Sb2 cuboctahedra, faces with two equivalent Mg(3)Mg10W2 cuboctahedra, faces with two equivalent Sb(1)Mg10W2 cuboctahedra, faces with four equivalent Mg(1)Mg8Sb2W2 cuboctahedra, faces with four equivalent Mg(2)Mg8Sb2W2 cuboctahedra, and faces with six equivalent W(1)Mg10Sb2 cuboctahedra. W(1) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Sb(1) atoms to form WMg10Sb2 cuboctahedra that share corners with four equivalent Sb(1)Mg10W2 cuboctahedra, corners with six equivalent W(1)Mg10Sb2 cuboctahedra, corners with eight equivalent Mg(1)Mg8Sb2W2 cuboctahedra, edges with two equivalent Sb(1)Mg10W2 cuboctahedra, edges with four equivalent Mg(3)Mg10W2 cuboctahedra, edges with four equivalent Mg(1)Mg8Sb2W2 cuboctahedra, edges with eight equivalent Mg(2)Mg8Sb2W2 cuboctahedra, faces with two equivalent Mg(3)Mg10W2 cuboctahedra, faces with two equivalent W(1)Mg10Sb2 cuboctahedra, faces with two equivalent Sb(1)Mg10W2 cuboctahedra, faces with four equivalent Mg(1)Mg8Sb2W2 cuboctahedra, faces with four equivalent Mg(2)Mg8Sb2W2 cuboctahedra, and faces with six equivalent Mg(4)Mg10Sb2 cuboctahedra. Sb(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent W(1) atoms to form SbMg10W2 cuboctahedra that share corners with four equivalent W(1)Mg10Sb2 cuboctahedra, corners with six equivalent Sb(1)Mg10W2 cuboctahedra, corners with eight equivalent Mg(1)Mg8Sb2W2 cuboctahedra, edges with two equivalent W(1)Mg10Sb2 cuboctahedra, edges with four equivalent Mg(4)Mg10Sb2 cuboctahedra, edges with four equivalent Mg(1)Mg8Sb2W2 cuboctahedra, edges with eight equivalent Mg(2)Mg8Sb2W2 cuboctahedra, faces with two equivalent Mg(4)Mg10Sb2 cuboctahedra, faces with two equivalent W(1)Mg10Sb2 cuboctahedra, faces with two equivalent Sb(1)Mg10W2 cuboctahedra, faces with four equivalent Mg(1)Mg8Sb2W2 cuboctahedra, faces with four equivalent Mg(2)Mg8Sb2W2 cuboctahedra, and faces with six equivalent Mg(3)Mg10W2 cuboctahedra.
Mg6WSb crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent W(1), and two equivalent Sb(1) atoms to form distorted MgMg8Sb2W2 cuboctahedra that share corners with four equivalent W(1)Mg10Sb2 cuboctahedra, corners with four equivalent Sb(1)Mg10W2 cuboctahedra, corners with ten equivalent Mg(1)Mg8Sb2W2 cuboctahedra, edges with two equivalent Mg(1)Mg8Sb2W2 cuboctahedra, edges with two equivalent W(1)Mg10Sb2 cuboctahedra, edges with two equivalent Sb(1)Mg10W2 cuboctahedra, edges with four equivalent Mg(4)Mg10Sb2 cuboctahedra, edges with four equivalent Mg(3)Mg10W2 cuboctahedra, edges with four equivalent Mg(2)Mg8Sb2W2 cuboctahedra, faces with two equivalent Mg(4)Mg10Sb2 cuboctahedra, faces with two equivalent Mg(3)Mg10W2 cuboctahedra, faces with two equivalent W(1)Mg10Sb2 cuboctahedra, faces with two equivalent Sb(1)Mg10W2 cuboctahedra, faces with four equivalent Mg(1)Mg8Sb2W2 cuboctahedra, and faces with eight equivalent Mg(2)Mg8Sb2W2 cuboctahedra. There is one shorter (2.94 Å) and one longer (2.98 Å) Mg(1)-Mg(1) bond length. Both Mg(1)-Mg(2) bond lengths are 3.16 Å. Both Mg(1)-Mg(3) bond lengths are 3.14 Å. Both Mg(1)-Mg(4) bond lengths are 3.12 Å. There is one shorter (3.06 Å) and one longer (3.07 Å) Mg(1)-W(1) bond length. There is one shorter (3.05 Å) and one longer (3.08 Å) Mg(1)-Sb(1) bond length. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent W(1), and two equivalent Sb(1) atoms to form distorted MgMg8Sb2W2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Sb2 cuboctahedra, corners with four equivalent Mg(3)Mg10W2 cuboctahedra, corners with ten equivalent Mg(2)Mg8Sb2W2 cuboctahedra, edges with two equivalent Mg(4)Mg10Sb2 cuboctahedra, edges with two equivalent Mg(3)Mg10W2 cuboctahedra, edges with two equivalent Mg(2)Mg8Sb2W2 cuboctahedra, edges with four equivalent Mg(1)Mg8Sb2W2 cuboctahedra, edges with four equivalent W(1)Mg10Sb2 cuboctahedra, edges with four equivalent Sb(1)Mg10W2 cuboctahedra, faces with two equivalent Mg(4)Mg10Sb2 cuboctahedra, faces with two equivalent Mg(3)Mg10W2 cuboctahedra, faces with two equivalent W(1)Mg10Sb2 cuboctahedra, faces with two equivalent Sb(1)Mg10W2 cuboctahedra, faces with four equivalent Mg(2)Mg8Sb2W2 cuboctahedra, and faces with eight equivalent Mg(1)Mg8Sb2W2 cuboctahedra. There is one shorter (2.82 Å) and one longer (3.10 Å) Mg(2)-Mg(2) bond length. There is one shorter (2.94 Å) and one longer (3.19 Å) Mg(2)-Mg(3) bond length. There is one shorter (3.03 Å) and one longer (3.10 Å) Mg(2)-Mg(4) bond length. Both Mg(2)-W(1) bond lengths are 3.08 Å. Both Mg(2)-Sb(1) bond lengths are 3.16 Å. In the third Mg site, Mg(3) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent W(1) atoms to form distorted MgMg10W2 cuboctahedra that share corners with four equivalent Mg(4)Mg10Sb2 cuboctahedra, corners with six equivalent Mg(3)Mg10W2 cuboctahedra, corners with eight equivalent Mg(2)Mg8Sb2W2 cuboctahedra, edges with two equivalent Mg(4)Mg10Sb2 cuboctahedra, edges with four equivalent Mg(2)Mg8Sb2W2 cuboctahedra, edges with four equivalent W(1)Mg10Sb2 cuboctahedra, edges with eight equivalent Mg(1)Mg8Sb2W2 cuboctahedra, faces with two equivalent Mg(4)Mg10Sb2 cuboctahedra, faces with two equivalent Mg(3)Mg10W2 cuboctahedra, faces with two equivalent W(1)Mg10Sb2 cuboctahedra, faces with four equivalent Mg(1)Mg8Sb2W2 cuboctahedra, faces with four equivalent Mg(2)Mg8Sb2W2 cuboctahedra, and faces with six equivalent Sb(1)Mg10W2 cuboctahedra. Both Mg(3)-Mg(4) bond lengths are 2.96 Å. Both Mg(3)-W(1) bond lengths are 3.10 Å. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Sb(1) atoms to form distorted MgMg10Sb2 cuboctahedra that share corners with four equivalent Mg(3)Mg10W2 cuboctahedra, corners with six equivalent Mg(4)Mg10Sb2 cuboctahedra, corners with eight equivalent Mg(2)Mg8Sb2W2 cuboctahedra, edges with two equivalent Mg(3)Mg10W2 cuboctahedra, edges with four equivalent Mg(2)Mg8Sb2W2 cuboctahedra, edges with four equivalent Sb(1)Mg10W2 cuboctahedra, edges with eight equivalent Mg(1)Mg8Sb2W2 cuboctahedra, faces with two equivalent Mg(4)Mg10Sb2 cuboctahedra, faces with two equivalent Mg(3)Mg10W2 cuboctahedra, faces with two equivalent Sb(1)Mg10W2 cuboctahedra, faces with four equivalent Mg(1)Mg8Sb2W2 cuboctahedra, faces with four equivalent Mg(2)Mg8Sb2W2 cuboctahedra, and faces with six equivalent W(1)Mg10Sb2 cuboctahedra. Both Mg(4)-Sb(1) bond lengths are 3.15 Å. W(1) is bonded to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Sb(1) atoms to form WMg10Sb2 cuboctahedra that share corners with four equivalent Sb(1)Mg10W2 cuboctahedra, corners with six equivalent W(1)Mg10Sb2 cuboctahedra, corners with eight equivalent Mg(1)Mg8Sb2W2 cuboctahedra, edges with two equivalent Sb(1)Mg10W2 cuboctahedra, edges with four equivalent Mg(3)Mg10W2 cuboctahedra, edges with four equivalent Mg(1)Mg8Sb2W2 cuboctahedra, edges with eight equivalent Mg(2)Mg8Sb2W2 cuboctahedra, faces with two equivalent Mg(3)Mg10W2 cuboctahedra, faces with two equivalent W(1)Mg10Sb2 cuboctahedra, faces with two equivalent Sb(1)Mg10W2 cuboctahedra, faces with four equivalent Mg(1)Mg8Sb2W2 cuboctahedra, faces with four equivalent Mg(2)Mg8Sb2W2 cuboctahedra, and faces with six equivalent Mg(4)Mg10Sb2 cuboctahedra. Both W(1)-Sb(1) bond lengths are 2.96 Å. Sb(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent W(1) atoms to form SbMg10W2 cuboctahedra that share corners with four equivalent W(1)Mg10Sb2 cuboctahedra, corners with six equivalent Sb(1)Mg10W2 cuboctahedra, corners with eight equivalent Mg(1)Mg8Sb2W2 cuboctahedra, edges with two equivalent W(1)Mg10Sb2 cuboctahedra, edges with four equivalent Mg(4)Mg10Sb2 cuboctahedra, edges with four equivalent Mg(1)Mg8Sb2W2 cuboctahedra, edges with eight equivalent Mg(2)Mg8Sb2W2 cuboctahedra, faces with two equivalent Mg(4)Mg10Sb2 cuboctahedra, faces with two equivalent W(1)Mg10Sb2 cuboctahedra, faces with two equivalent Sb(1)Mg10W2 cuboctahedra, faces with four equivalent Mg(1)Mg8Sb2W2 cuboctahedra, faces with four equivalent Mg(2)Mg8Sb2W2 cuboctahedra, and faces with six equivalent Mg(3)Mg10W2 cuboctahedra.