Mg14MoSn 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 Mg(5)Mg6SnMo cuboctahedra, corners with four equivalent Mo(1)Mg10Sn2 cuboctahedra, corners with six equivalent Mg(1)Mg12 cuboctahedra, corners with eight equivalent Mg(3)Mg8Sn2Mo2 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with four equivalent Mg(6)Mg11Sn cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, edges with four equivalent Mg(5)Mg6SnMo cuboctahedra, faces with two equivalent Mg(6)Mg11Sn cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent Sn(1)Mg10Mo2 cuboctahedra, faces with four equivalent Mg(4)Mg12 cuboctahedra, and faces with four equivalent Mg(5)Mg6SnMo 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 Sn(1)Mg10Mo2 cuboctahedra, corners with six equivalent Mg(2)Mg12 cuboctahedra, corners with eight equivalent Mg(5)Mg6SnMo cuboctahedra, corners with eight equivalent Mg(3)Mg8Sn2Mo2 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, edges with four equivalent Mg(5)Mg6SnMo cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Mo(1)Mg10Sn2 cuboctahedra, faces with four equivalent Mg(4)Mg12 cuboctahedra, and faces with six equivalent Mg(6)Mg11Sn 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 Mo(1), and two equivalent Sn(1) atoms to form distorted MgMg8Sn2Mo2 cuboctahedra that share corners with two equivalent Mg(5)Mg6SnMo cuboctahedra, 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)Mg8Sn2Mo2 cuboctahedra, edges with two equivalent Mg(3)Mg8Sn2Mo2 cuboctahedra, edges with two equivalent Mo(1)Mg10Sn2 cuboctahedra, edges with two equivalent Sn(1)Mg10Mo2 cuboctahedra, edges with four equivalent Mg(6)Mg11Sn cuboctahedra, edges with four equivalent Mg(5)Mg6SnMo cuboctahedra, faces with two equivalent Mg(6)Mg11Sn cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(3)Mg8Sn2Mo2 cuboctahedra, faces with two equivalent Mo(1)Mg10Sn2 cuboctahedra, faces with two equivalent Sn(1)Mg10Mo2 cuboctahedra, and faces with six equivalent Mg(5)Mg6SnMo 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 two equivalent Mg(5)Mg6SnMo cuboctahedra, corners with four equivalent Mg(3)Mg8Sn2Mo2 cuboctahedra, corners with four equivalent Mo(1)Mg10Sn2 cuboctahedra, corners with four equivalent Sn(1)Mg10Mo2 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(6)Mg11Sn cuboctahedra, edges with four equivalent Mg(5)Mg6SnMo cuboctahedra, faces with two equivalent Mg(6)Mg11Sn 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)Mg8Sn2Mo2 cuboctahedra, and faces with six equivalent Mg(5)Mg6SnMo 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(6), one Mo(1), and one Sn(1) atom to form distorted MgMg6SnMo cuboctahedra that share  a cornercorner with one Mg(1)Mg12 cuboctahedra,  a cornercorner with one Mg(4)Mg12 cuboctahedra,  a cornercorner with one Mg(3)Mg8Sn2Mo2 cuboctahedra,  a cornercorner with one Sn(1)Mg10Mo2 cuboctahedra, corners with two equivalent Mg(2)Mg12 cuboctahedra, corners with two equivalent Mo(1)Mg10Sn2 cuboctahedra, corners with four equivalent Mg(6)Mg11Sn cuboctahedra, corners with eight equivalent Mg(5)Mg6SnMo cuboctahedra,  an edgeedge with one Mg(1)Mg12 cuboctahedra,  an edgeedge with one Mg(2)Mg12 cuboctahedra,  an edgeedge with one Mo(1)Mg10Sn2 cuboctahedra,  an edgeedge with one Sn(1)Mg10Mo2 cuboctahedra, edges with two equivalent Mg(6)Mg11Sn cuboctahedra, edges with two equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Mg(3)Mg8Sn2Mo2 cuboctahedra,  a faceface with one Mg(1)Mg12 cuboctahedra,  a faceface with one Sn(1)Mg10Mo2 cuboctahedra, faces with three equivalent Mg(4)Mg12 cuboctahedra, faces with three equivalent Mg(3)Mg8Sn2Mo2 cuboctahedra, and faces with four equivalent Mg(5)Mg6SnMo cuboctahedra. In the sixth Mg site, Mg(6) is bonded to one Mg(1), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(7), four equivalent Mg(5), and one Sn(1) atom to form distorted MgMg11Sn cuboctahedra that share corners with six equivalent Mg(6)Mg11Sn cuboctahedra, corners with eight equivalent Mg(5)Mg6SnMo cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with two equivalent Sn(1)Mg10Mo2 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, edges with four equivalent Mg(5)Mg6SnMo cuboctahedra, edges with four equivalent Mg(3)Mg8Sn2Mo2 cuboctahedra,  a faceface with one Mg(1)Mg12 cuboctahedra,  a faceface with one Sn(1)Mg10Mo2 cuboctahedra, faces with two equivalent Mg(6)Mg11Sn cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(3)Mg8Sn2Mo2 cuboctahedra, faces with three equivalent Mg(2)Mg12 cuboctahedra, and faces with three equivalent Mo(1)Mg10Sn2 cuboctahedra. 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), and one Mo(1) atom. Mo(1) is bonded to two equivalent Mg(7), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Sn(1) atoms to form MoMg10Sn2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra, corners with six equivalent Mo(1)Mg10Sn2 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, corners with eight equivalent Mg(5)Mg6SnMo cuboctahedra, edges with two equivalent Sn(1)Mg10Mo2 cuboctahedra, edges with four equivalent Mg(5)Mg6SnMo cuboctahedra, edges with four equivalent Mg(3)Mg8Sn2Mo2 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent Sn(1)Mg10Mo2 cuboctahedra, faces with four equivalent Mg(3)Mg8Sn2Mo2 cuboctahedra, and faces with six equivalent Mg(6)Mg11Sn cuboctahedra. Sn(1) is bonded to two equivalent Mg(6), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Mo(1) atoms to form SnMg10Mo2 cuboctahedra that share corners with four equivalent Mg(2)Mg12 cuboctahedra, corners with four equivalent Mg(5)Mg6SnMo cuboctahedra, corners with six equivalent Sn(1)Mg10Mo2 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Mo(1)Mg10Sn2 cuboctahedra, edges with four equivalent Mg(6)Mg11Sn cuboctahedra, edges with four equivalent Mg(5)Mg6SnMo cuboctahedra, edges with four equivalent Mg(3)Mg8Sn2Mo2 cuboctahedra, faces with two equivalent Mg(6)Mg11Sn cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Mo(1)Mg10Sn2 cuboctahedra, faces with four equivalent Mg(5)Mg6SnMo cuboctahedra, and faces with four equivalent Mg(3)Mg8Sn2Mo2 cuboctahedra.
Mg14MoSn 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 Mg(5)Mg6SnMo cuboctahedra, corners with four equivalent Mo(1)Mg10Sn2 cuboctahedra, corners with six equivalent Mg(1)Mg12 cuboctahedra, corners with eight equivalent Mg(3)Mg8Sn2Mo2 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with four equivalent Mg(6)Mg11Sn cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, edges with four equivalent Mg(5)Mg6SnMo cuboctahedra, faces with two equivalent Mg(6)Mg11Sn cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent Sn(1)Mg10Mo2 cuboctahedra, faces with four equivalent Mg(4)Mg12 cuboctahedra, and faces with four equivalent Mg(5)Mg6SnMo cuboctahedra. Both Mg(1)-Mg(2) bond lengths are 3.10 Å. Both Mg(1)-Mg(6) bond lengths are 3.11 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 3.18 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 Sn(1)Mg10Mo2 cuboctahedra, corners with six equivalent Mg(2)Mg12 cuboctahedra, corners with eight equivalent Mg(5)Mg6SnMo cuboctahedra, corners with eight equivalent Mg(3)Mg8Sn2Mo2 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, edges with four equivalent Mg(5)Mg6SnMo cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Mo(1)Mg10Sn2 cuboctahedra, faces with four equivalent Mg(4)Mg12 cuboctahedra, and faces with six equivalent Mg(6)Mg11Sn cuboctahedra. Both Mg(2)-Mg(7) bond lengths are 3.15 Å. There are two shorter (3.14 Å) and two longer (3.15 Å) Mg(2)-Mg(4) bond lengths. All Mg(2)-Mg(5) bond lengths are 3.14 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 Mo(1), and two equivalent Sn(1) atoms to form distorted MgMg8Sn2Mo2 cuboctahedra that share corners with two equivalent Mg(5)Mg6SnMo cuboctahedra, 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)Mg8Sn2Mo2 cuboctahedra, edges with two equivalent Mg(3)Mg8Sn2Mo2 cuboctahedra, edges with two equivalent Mo(1)Mg10Sn2 cuboctahedra, edges with two equivalent Sn(1)Mg10Mo2 cuboctahedra, edges with four equivalent Mg(6)Mg11Sn cuboctahedra, edges with four equivalent Mg(5)Mg6SnMo cuboctahedra, faces with two equivalent Mg(6)Mg11Sn cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(3)Mg8Sn2Mo2 cuboctahedra, faces with two equivalent Mo(1)Mg10Sn2 cuboctahedra, faces with two equivalent Sn(1)Mg10Mo2 cuboctahedra, and faces with six equivalent Mg(5)Mg6SnMo cuboctahedra. There is one shorter (3.10 Å) and one longer (3.11 Å) Mg(3)-Mg(3) bond length. Both Mg(3)-Mg(5) bond lengths are 3.10 Å. Both Mg(3)-Mg(6) bond lengths are 3.15 Å. Both Mg(3)-Mg(7) bond lengths are 3.09 Å. There is one shorter (3.13 Å) and one longer (3.16 Å) Mg(3)-Mo(1) bond length. There is one shorter (3.12 Å) and one longer (3.17 Å) Mg(3)-Sn(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 two equivalent Mg(5)Mg6SnMo cuboctahedra, corners with four equivalent Mg(3)Mg8Sn2Mo2 cuboctahedra, corners with four equivalent Mo(1)Mg10Sn2 cuboctahedra, corners with four equivalent Sn(1)Mg10Mo2 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(6)Mg11Sn cuboctahedra, edges with four equivalent Mg(5)Mg6SnMo cuboctahedra, faces with two equivalent Mg(6)Mg11Sn 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)Mg8Sn2Mo2 cuboctahedra, and faces with six equivalent Mg(5)Mg6SnMo cuboctahedra. There is one shorter (3.09 Å) and one longer (3.11 Å) Mg(4)-Mg(4) bond length. Both Mg(4)-Mg(5) bond lengths are 3.19 Å. Both Mg(4)-Mg(6) bond lengths are 3.10 Å. Both Mg(4)-Mg(7) bond lengths are 3.18 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(6), one Mo(1), and one Sn(1) atom to form distorted MgMg6SnMo cuboctahedra that share  a cornercorner with one Mg(1)Mg12 cuboctahedra,  a cornercorner with one Mg(4)Mg12 cuboctahedra,  a cornercorner with one Mg(3)Mg8Sn2Mo2 cuboctahedra,  a cornercorner with one Sn(1)Mg10Mo2 cuboctahedra, corners with two equivalent Mg(2)Mg12 cuboctahedra, corners with two equivalent Mo(1)Mg10Sn2 cuboctahedra, corners with four equivalent Mg(6)Mg11Sn cuboctahedra, corners with eight equivalent Mg(5)Mg6SnMo cuboctahedra,  an edgeedge with one Mg(1)Mg12 cuboctahedra,  an edgeedge with one Mg(2)Mg12 cuboctahedra,  an edgeedge with one Mo(1)Mg10Sn2 cuboctahedra,  an edgeedge with one Sn(1)Mg10Mo2 cuboctahedra, edges with two equivalent Mg(6)Mg11Sn cuboctahedra, edges with two equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Mg(3)Mg8Sn2Mo2 cuboctahedra,  a faceface with one Mg(1)Mg12 cuboctahedra,  a faceface with one Sn(1)Mg10Mo2 cuboctahedra, faces with three equivalent Mg(4)Mg12 cuboctahedra, faces with three equivalent Mg(3)Mg8Sn2Mo2 cuboctahedra, and faces with four equivalent Mg(5)Mg6SnMo cuboctahedra. There is one shorter (3.14 Å) and one longer (3.16 Å) Mg(5)-Mg(6) bond length. The Mg(5)-Mo(1) bond length is 3.05 Å. The Mg(5)-Sn(1) bond length is 3.10 Å. In the sixth Mg site, Mg(6) is bonded to one Mg(1), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(7), four equivalent Mg(5), and one Sn(1) atom to form distorted MgMg11Sn cuboctahedra that share corners with six equivalent Mg(6)Mg11Sn cuboctahedra, corners with eight equivalent Mg(5)Mg6SnMo cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with two equivalent Sn(1)Mg10Mo2 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, edges with four equivalent Mg(5)Mg6SnMo cuboctahedra, edges with four equivalent Mg(3)Mg8Sn2Mo2 cuboctahedra,  a faceface with one Mg(1)Mg12 cuboctahedra,  a faceface with one Sn(1)Mg10Mo2 cuboctahedra, faces with two equivalent Mg(6)Mg11Sn cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(3)Mg8Sn2Mo2 cuboctahedra, faces with three equivalent Mg(2)Mg12 cuboctahedra, and faces with three equivalent Mo(1)Mg10Sn2 cuboctahedra. Both Mg(6)-Mg(7) bond lengths are 3.11 Å. The Mg(6)-Sn(1) bond length is 3.15 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), and one Mo(1) atom. The Mg(7)-Mo(1) bond length is 3.06 Å. Mo(1) is bonded to two equivalent Mg(7), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Sn(1) atoms to form MoMg10Sn2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra, corners with six equivalent Mo(1)Mg10Sn2 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, corners with eight equivalent Mg(5)Mg6SnMo cuboctahedra, edges with two equivalent Sn(1)Mg10Mo2 cuboctahedra, edges with four equivalent Mg(5)Mg6SnMo cuboctahedra, edges with four equivalent Mg(3)Mg8Sn2Mo2 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent Sn(1)Mg10Mo2 cuboctahedra, faces with four equivalent Mg(3)Mg8Sn2Mo2 cuboctahedra, and faces with six equivalent Mg(6)Mg11Sn cuboctahedra. Both Mo(1)-Sn(1) bond lengths are 3.10 Å. Sn(1) is bonded to two equivalent Mg(6), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Mo(1) atoms to form SnMg10Mo2 cuboctahedra that share corners with four equivalent Mg(2)Mg12 cuboctahedra, corners with four equivalent Mg(5)Mg6SnMo cuboctahedra, corners with six equivalent Sn(1)Mg10Mo2 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Mo(1)Mg10Sn2 cuboctahedra, edges with four equivalent Mg(6)Mg11Sn cuboctahedra, edges with four equivalent Mg(5)Mg6SnMo cuboctahedra, edges with four equivalent Mg(3)Mg8Sn2Mo2 cuboctahedra, faces with two equivalent Mg(6)Mg11Sn cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Mo(1)Mg10Sn2 cuboctahedra, faces with four equivalent Mg(5)Mg6SnMo cuboctahedra, and faces with four equivalent Mg(3)Mg8Sn2Mo2 cuboctahedra.