Mg14WSb 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 Sb(1)Mg10W2 cuboctahedra, corners with six equivalent Mg(1)Mg12 cuboctahedra, corners with eight equivalent Mg(3)Mg8Sb2W2 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent W(1)Mg10Sb2 cuboctahedra, and faces with four equivalent Mg(4)Mg12 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 W(1)Mg10Sb2 cuboctahedra, corners with six equivalent Mg(2)Mg12 cuboctahedra, corners with eight equivalent Mg(3)Mg8Sb2W2 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Sb(1)Mg10W2 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 W(1), and two equivalent Sb(1) atoms to form distorted MgMg8Sb2W2 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)Mg8Sb2W2 cuboctahedra, edges with two equivalent Mg(3)Mg8Sb2W2 cuboctahedra, edges with two equivalent W(1)Mg10Sb2 cuboctahedra, edges with two equivalent Sb(1)Mg10W2 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(3)Mg8Sb2W2 cuboctahedra, faces with two equivalent W(1)Mg10Sb2 cuboctahedra, and faces with two equivalent Sb(1)Mg10W2 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)Mg8Sb2W2 cuboctahedra, corners with four equivalent W(1)Mg10Sb2 cuboctahedra, corners with four equivalent Sb(1)Mg10W2 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, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, and faces with two equivalent Mg(3)Mg8Sb2W2 cuboctahedra. In the fifth Mg site, Mg(5) is bonded in a 2-coordinate geometry to one Mg(1), one Mg(2), one Mg(3), one Mg(4), two equivalent Mg(7), one W(1), and one Sb(1) atom. 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), and one W(1) atom. In the seventh Mg site, Mg(7) is bonded in a distorted single-bond geometry to one Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(6), four equivalent Mg(5), and one Sb(1) atom. W(1) is bonded to two equivalent Mg(6), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Sb(1) atoms to form WMg10Sb2 cuboctahedra that share corners with four equivalent Mg(2)Mg12 cuboctahedra, corners with six equivalent W(1)Mg10Sb2 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Sb(1)Mg10W2 cuboctahedra, edges with four equivalent Mg(3)Mg8Sb2W2 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Sb(1)Mg10W2 cuboctahedra, and faces with four equivalent Mg(3)Mg8Sb2W2 cuboctahedra. Sb(1) is bonded to two equivalent Mg(7), four equivalent Mg(3), four equivalent Mg(5), and two equivalent W(1) atoms to form SbMg10W2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra, corners with six equivalent Sb(1)Mg10W2 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent W(1)Mg10Sb2 cuboctahedra, edges with four equivalent Mg(3)Mg8Sb2W2 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent W(1)Mg10Sb2 cuboctahedra, and faces with four equivalent Mg(3)Mg8Sb2W2 cuboctahedra.
Mg14WSb 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 Sb(1)Mg10W2 cuboctahedra, corners with six equivalent Mg(1)Mg12 cuboctahedra, corners with eight equivalent Mg(3)Mg8Sb2W2 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent W(1)Mg10Sb2 cuboctahedra, and faces with four equivalent Mg(4)Mg12 cuboctahedra. Both Mg(1)-Mg(2) bond lengths are 3.13 Å. Both Mg(1)-Mg(6) bond lengths are 3.16 Å. There are two shorter (3.14 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 W(1)Mg10Sb2 cuboctahedra, corners with six equivalent Mg(2)Mg12 cuboctahedra, corners with eight equivalent Mg(3)Mg8Sb2W2 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Sb(1)Mg10W2 cuboctahedra, and faces with four equivalent Mg(4)Mg12 cuboctahedra. Both Mg(2)-Mg(7) bond lengths are 3.11 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 3.21 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 W(1), and two equivalent Sb(1) atoms to form distorted MgMg8Sb2W2 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)Mg8Sb2W2 cuboctahedra, edges with two equivalent Mg(3)Mg8Sb2W2 cuboctahedra, edges with two equivalent W(1)Mg10Sb2 cuboctahedra, edges with two equivalent Sb(1)Mg10W2 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(3)Mg8Sb2W2 cuboctahedra, faces with two equivalent W(1)Mg10Sb2 cuboctahedra, and faces with two equivalent Sb(1)Mg10W2 cuboctahedra. There is one shorter (3.12 Å) and one longer (3.13 Å) Mg(3)-Mg(3) bond length. Both Mg(3)-Mg(5) bond lengths are 3.09 Å. Both Mg(3)-Mg(6) bond lengths are 3.08 Å. Both Mg(3)-Mg(7) bond lengths are 3.17 Å. There is one shorter (3.14 Å) and one longer (3.15 Å) Mg(3)-W(1) bond length. There is one shorter (3.07 Å) and one longer (3.21 Å) Mg(3)-Sb(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)Mg8Sb2W2 cuboctahedra, corners with four equivalent W(1)Mg10Sb2 cuboctahedra, corners with four equivalent Sb(1)Mg10W2 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, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, and faces with two equivalent Mg(3)Mg8Sb2W2 cuboctahedra. There is one shorter (3.09 Å) and one longer (3.16 Å) Mg(4)-Mg(4) bond length. Both Mg(4)-Mg(5) bond lengths are 3.21 Å. Both Mg(4)-Mg(6) bond lengths are 3.21 Å. Both Mg(4)-Mg(7) bond lengths are 3.09 Å. In the fifth Mg site, Mg(5) is bonded in a 2-coordinate geometry to one Mg(1), one Mg(2), one Mg(3), one Mg(4), two equivalent Mg(7), one W(1), and one Sb(1) atom. There is one shorter (3.12 Å) and one longer (3.17 Å) Mg(5)-Mg(7) bond length. The Mg(5)-W(1) bond length is 3.03 Å. The Mg(5)-Sb(1) bond length is 3.11 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), and one W(1) atom. Both Mg(6)-Mg(7) bond lengths are 3.13 Å. The Mg(6)-W(1) bond length is 3.05 Å. In the seventh Mg site, Mg(7) is bonded in a distorted single-bond geometry to one Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(6), four equivalent Mg(5), and one Sb(1) atom. The Mg(7)-Sb(1) bond length is 3.15 Å. W(1) is bonded to two equivalent Mg(6), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Sb(1) atoms to form WMg10Sb2 cuboctahedra that share corners with four equivalent Mg(2)Mg12 cuboctahedra, corners with six equivalent W(1)Mg10Sb2 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Sb(1)Mg10W2 cuboctahedra, edges with four equivalent Mg(3)Mg8Sb2W2 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Sb(1)Mg10W2 cuboctahedra, and faces with four equivalent Mg(3)Mg8Sb2W2 cuboctahedra. Both W(1)-Sb(1) bond lengths are 3.13 Å. Sb(1) is bonded to two equivalent Mg(7), four equivalent Mg(3), four equivalent Mg(5), and two equivalent W(1) atoms to form SbMg10W2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra, corners with six equivalent Sb(1)Mg10W2 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent W(1)Mg10Sb2 cuboctahedra, edges with four equivalent Mg(3)Mg8Sb2W2 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent W(1)Mg10Sb2 cuboctahedra, and faces with four equivalent Mg(3)Mg8Sb2W2 cuboctahedra.