Mg14MoCo 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 Mo(1)Mg10Co2 cuboctahedra, corners with six equivalent Mg(1)Mg12 cuboctahedra, corners with eight equivalent Mg(3)Mg8Co2Mo2 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 Co(1)Mg10Mo2 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 Co(1)Mg10Mo2 cuboctahedra, corners with six equivalent Mg(2)Mg12 cuboctahedra, corners with eight equivalent Mg(3)Mg8Co2Mo2 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 Mo(1)Mg10Co2 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 Mo(1), and two equivalent Co(1) atoms to form distorted MgMg8Co2Mo2 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)Mg8Co2Mo2 cuboctahedra, edges with two equivalent Mg(3)Mg8Co2Mo2 cuboctahedra, edges with two equivalent Mo(1)Mg10Co2 cuboctahedra, edges with two equivalent Co(1)Mg10Mo2 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(3)Mg8Co2Mo2 cuboctahedra, faces with two equivalent Mo(1)Mg10Co2 cuboctahedra, and faces with two equivalent Co(1)Mg10Mo2 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)Mg8Co2Mo2 cuboctahedra, corners with four equivalent Mo(1)Mg10Co2 cuboctahedra, corners with four equivalent Co(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, 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)Mg8Co2Mo2 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), one Mo(1), and one Co(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), and one Co(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), 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 Co(1) atoms to form MoMg10Co2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra, corners with six equivalent Mo(1)Mg10Co2 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Co(1)Mg10Mo2 cuboctahedra, edges with four equivalent Mg(3)Mg8Co2Mo2 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent Co(1)Mg10Mo2 cuboctahedra, and faces with four equivalent Mg(3)Mg8Co2Mo2 cuboctahedra. Co(1) is bonded to two equivalent Mg(6), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Mo(1) atoms to form CoMg10Mo2 cuboctahedra that share corners with four equivalent Mg(2)Mg12 cuboctahedra, corners with six equivalent Co(1)Mg10Mo2 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Mo(1)Mg10Co2 cuboctahedra, edges with four equivalent Mg(3)Mg8Co2Mo2 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Mo(1)Mg10Co2 cuboctahedra, and faces with four equivalent Mg(3)Mg8Co2Mo2 cuboctahedra.
Mg14MoCo 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 Mo(1)Mg10Co2 cuboctahedra, corners with six equivalent Mg(1)Mg12 cuboctahedra, corners with eight equivalent Mg(3)Mg8Co2Mo2 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 Co(1)Mg10Mo2 cuboctahedra, and faces with four equivalent Mg(4)Mg12 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 (3.11 Å) and two longer (3.15 Å) Mg(1)-Mg(4) bond lengths. All Mg(1)-Mg(5) bond lengths are 3.19 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 Co(1)Mg10Mo2 cuboctahedra, corners with six equivalent Mg(2)Mg12 cuboctahedra, corners with eight equivalent Mg(3)Mg8Co2Mo2 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 Mo(1)Mg10Co2 cuboctahedra, and faces with four equivalent Mg(4)Mg12 cuboctahedra. Both Mg(2)-Mg(7) bond lengths are 3.06 Å. There are two shorter (3.10 Å) and two longer (3.16 Å) Mg(2)-Mg(4) bond lengths. All Mg(2)-Mg(5) bond lengths are 3.19 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 Co(1) atoms to form distorted MgMg8Co2Mo2 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)Mg8Co2Mo2 cuboctahedra, edges with two equivalent Mg(3)Mg8Co2Mo2 cuboctahedra, edges with two equivalent Mo(1)Mg10Co2 cuboctahedra, edges with two equivalent Co(1)Mg10Mo2 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(3)Mg8Co2Mo2 cuboctahedra, faces with two equivalent Mo(1)Mg10Co2 cuboctahedra, and faces with two equivalent Co(1)Mg10Mo2 cuboctahedra. There is one shorter (3.05 Å) and one longer (3.15 Å) Mg(3)-Mg(3) bond length. Both Mg(3)-Mg(5) bond lengths are 2.94 Å. Both Mg(3)-Mg(6) bond lengths are 3.00 Å. Both Mg(3)-Mg(7) bond lengths are 3.03 Å. There is one shorter (3.06 Å) and one longer (3.20 Å) Mg(3)-Mo(1) bond length. There is one shorter (3.10 Å) and one longer (3.16 Å) Mg(3)-Co(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)Mg8Co2Mo2 cuboctahedra, corners with four equivalent Mo(1)Mg10Co2 cuboctahedra, corners with four equivalent Co(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, 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)Mg8Co2Mo2 cuboctahedra. There is one shorter (3.09 Å) and one longer (3.12 Å) Mg(4)-Mg(4) bond length. Both Mg(4)-Mg(5) bond lengths are 3.23 Å. Both Mg(4)-Mg(6) bond lengths are 3.18 Å. Both Mg(4)-Mg(7) bond lengths are 3.11 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), one Mo(1), and one Co(1) atom. The Mg(5)-Mo(1) bond length is 2.91 Å. The Mg(5)-Co(1) bond length is 2.90 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), and one Co(1) atom. The Mg(6)-Co(1) bond length is 2.87 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), and one Mo(1) atom. The Mg(7)-Mo(1) bond length is 2.95 Å. Mo(1) is bonded to two equivalent Mg(7), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Co(1) atoms to form MoMg10Co2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra, corners with six equivalent Mo(1)Mg10Co2 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Co(1)Mg10Mo2 cuboctahedra, edges with four equivalent Mg(3)Mg8Co2Mo2 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent Co(1)Mg10Mo2 cuboctahedra, and faces with four equivalent Mg(3)Mg8Co2Mo2 cuboctahedra. Both Mo(1)-Co(1) bond lengths are 3.10 Å. Co(1) is bonded to two equivalent Mg(6), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Mo(1) atoms to form CoMg10Mo2 cuboctahedra that share corners with four equivalent Mg(2)Mg12 cuboctahedra, corners with six equivalent Co(1)Mg10Mo2 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Mo(1)Mg10Co2 cuboctahedra, edges with four equivalent Mg(3)Mg8Co2Mo2 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Mo(1)Mg10Co2 cuboctahedra, and faces with four equivalent Mg(3)Mg8Co2Mo2 cuboctahedra.