CsMg14Al crystallizes in the hexagonal P-6m2 space group. Cs(1) is bonded to six equivalent Mg(2) and six equivalent Mg(3) atoms to form CsMg12 cuboctahedra that share corners with six equivalent Cs(1)Mg12 cuboctahedra, corners with twelve equivalent Mg(1)Mg10Al2 cuboctahedra, faces with two equivalent Al(1)Mg12 cuboctahedra, and faces with six equivalent Mg(4)Mg12 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Al(1) atoms to form distorted MgMg10Al2 cuboctahedra that share corners with four equivalent Cs(1)Mg12 cuboctahedra, corners with six equivalent Mg(1)Mg10Al2 cuboctahedra, edges with two equivalent Al(1)Mg12 cuboctahedra, edges with four equivalent Mg(1)Mg10Al2 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Al(1)Mg12 cuboctahedra, and faces with four equivalent Mg(1)Mg10Al2 cuboctahedra. In the second Mg site, Mg(2) is bonded in a distorted linear geometry to two equivalent Cs(1), two equivalent Mg(4), and four equivalent Mg(3) atoms. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to one Cs(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), four equivalent Mg(3), and one Al(1) atom. In the fourth Mg site, Mg(4) is bonded to three equivalent Mg(1), three equivalent Mg(2), and six equivalent Mg(3) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(4)Mg12 cuboctahedra, edges with six equivalent Mg(1)Mg10Al2 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with three equivalent Cs(1)Mg12 cuboctahedra, faces with three equivalent Mg(1)Mg10Al2 cuboctahedra, and faces with three equivalent Al(1)Mg12 cuboctahedra. Al(1) is bonded to six equivalent Mg(1) and six equivalent Mg(3) atoms to form AlMg12 cuboctahedra that share corners with six equivalent Al(1)Mg12 cuboctahedra, edges with six equivalent Mg(1)Mg10Al2 cuboctahedra, faces with two equivalent Cs(1)Mg12 cuboctahedra, faces with six equivalent Mg(1)Mg10Al2 cuboctahedra, and faces with six equivalent Mg(4)Mg12 cuboctahedra.
CsMg14Al crystallizes in the hexagonal P-6m2 space group. Cs(1) is bonded to six equivalent Mg(2) and six equivalent Mg(3) atoms to form CsMg12 cuboctahedra that share corners with six equivalent Cs(1)Mg12 cuboctahedra, corners with twelve equivalent Mg(1)Mg10Al2 cuboctahedra, faces with two equivalent Al(1)Mg12 cuboctahedra, and faces with six equivalent Mg(4)Mg12 cuboctahedra. All Cs(1)-Mg(2) bond lengths are 3.25 Å. All Cs(1)-Mg(3) bond lengths are 3.49 Å. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Al(1) atoms to form distorted MgMg10Al2 cuboctahedra that share corners with four equivalent Cs(1)Mg12 cuboctahedra, corners with six equivalent Mg(1)Mg10Al2 cuboctahedra, edges with two equivalent Al(1)Mg12 cuboctahedra, edges with four equivalent Mg(1)Mg10Al2 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Al(1)Mg12 cuboctahedra, and faces with four equivalent Mg(1)Mg10Al2 cuboctahedra. Both Mg(1)-Mg(4) bond lengths are 3.32 Å. There are two shorter (3.20 Å) and two longer (3.31 Å) Mg(1)-Mg(1) bond lengths. All Mg(1)-Mg(3) bond lengths are 3.11 Å. Both Mg(1)-Al(1) bond lengths are 3.25 Å. In the second Mg site, Mg(2) is bonded in a distorted linear geometry to two equivalent Cs(1), two equivalent Mg(4), and four equivalent Mg(3) atoms. Both Mg(2)-Mg(4) bond lengths are 3.26 Å. All Mg(2)-Mg(3) bond lengths are 3.46 Å. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to one Cs(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), four equivalent Mg(3), and one Al(1) atom. Both Mg(3)-Mg(4) bond lengths are 3.26 Å. There are two shorter (3.19 Å) and two longer (3.32 Å) Mg(3)-Mg(3) bond lengths. The Mg(3)-Al(1) bond length is 3.14 Å. In the fourth Mg site, Mg(4) is bonded to three equivalent Mg(1), three equivalent Mg(2), and six equivalent Mg(3) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(4)Mg12 cuboctahedra, edges with six equivalent Mg(1)Mg10Al2 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with three equivalent Cs(1)Mg12 cuboctahedra, faces with three equivalent Mg(1)Mg10Al2 cuboctahedra, and faces with three equivalent Al(1)Mg12 cuboctahedra. Al(1) is bonded to six equivalent Mg(1) and six equivalent Mg(3) atoms to form AlMg12 cuboctahedra that share corners with six equivalent Al(1)Mg12 cuboctahedra, edges with six equivalent Mg(1)Mg10Al2 cuboctahedra, faces with two equivalent Cs(1)Mg12 cuboctahedra, faces with six equivalent Mg(1)Mg10Al2 cuboctahedra, and faces with six equivalent Mg(4)Mg12 cuboctahedra.