CeCoAl crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 12-coordinate geometry to three equivalent Ce(2), one Co(3), two equivalent Co(1), two equivalent Co(2), three equivalent Al(1), and four equivalent Al(2) atoms. In the second Ce site, Ce(2) is bonded in a 16-coordinate geometry to one Ce(2), three equivalent Ce(1), one Co(1), two equivalent Co(3), four equivalent Co(2), two equivalent Al(2), and three equivalent Al(1) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent Ce(2), four equivalent Ce(1), two equivalent Al(1), and four equivalent Al(2) atoms to form CoCe6Al6 cuboctahedra that share corners with two equivalent Co(3)Ce6Al2Co4 cuboctahedra, corners with four equivalent Co(1)Ce6Al6 cuboctahedra, corners with four equivalent Al(1)Ce6Al2Co4 cuboctahedra, corners with eight equivalent Co(2)Ce6Al2Co4 cuboctahedra, edges with two equivalent Co(1)Ce6Al6 cuboctahedra, edges with four equivalent Co(3)Ce6Al2Co4 cuboctahedra, faces with four equivalent Co(2)Ce6Al2Co4 cuboctahedra, faces with six equivalent Al(1)Ce6Al2Co4 cuboctahedra, and faces with eight equivalent Al(2)Ce6Al4Co2 cuboctahedra. In the second Co site, Co(2) is bonded to two equivalent Ce(1), four equivalent Ce(2), two equivalent Co(2), two equivalent Co(3), and two equivalent Al(1) atoms to form distorted CoCe6Al2Co4 cuboctahedra that share corners with four equivalent Co(2)Ce6Al2Co4 cuboctahedra, corners with four equivalent Co(1)Ce6Al6 cuboctahedra, corners with four equivalent Al(1)Ce6Al2Co4 cuboctahedra, corners with six equivalent Al(2)Ce6Al4Co2 cuboctahedra, edges with two equivalent Co(2)Ce6Al2Co4 cuboctahedra, edges with four equivalent Al(2)Ce6Al4Co2 cuboctahedra, faces with two equivalent Co(1)Ce6Al6 cuboctahedra, faces with two equivalent Al(2)Ce6Al4Co2 cuboctahedra, faces with four equivalent Co(2)Ce6Al2Co4 cuboctahedra, faces with four equivalent Co(3)Ce6Al2Co4 cuboctahedra, and faces with six equivalent Al(1)Ce6Al2Co4 cuboctahedra. In the third Co site, Co(3) is bonded to two equivalent Ce(1), four equivalent Ce(2), four equivalent Co(2), and two equivalent Al(1) atoms to form distorted CoCe6Al2Co4 cuboctahedra that share corners with two equivalent Co(1)Ce6Al6 cuboctahedra, corners with four equivalent Co(3)Ce6Al2Co4 cuboctahedra, corners with four equivalent Al(1)Ce6Al2Co4 cuboctahedra, corners with eight equivalent Al(2)Ce6Al4Co2 cuboctahedra, edges with two equivalent Co(3)Ce6Al2Co4 cuboctahedra, edges with four equivalent Co(1)Ce6Al6 cuboctahedra, faces with four equivalent Al(2)Ce6Al4Co2 cuboctahedra, faces with six equivalent Al(1)Ce6Al2Co4 cuboctahedra, and faces with eight equivalent Co(2)Ce6Al2Co4 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to three equivalent Ce(1), three equivalent Ce(2), one Co(1), one Co(3), two equivalent Co(2), and two equivalent Al(2) atoms to form distorted AlCe6Al2Co4 cuboctahedra that share corners with two equivalent Co(3)Ce6Al2Co4 cuboctahedra, corners with two equivalent Co(1)Ce6Al6 cuboctahedra, corners with four equivalent Co(2)Ce6Al2Co4 cuboctahedra, corners with four equivalent Al(2)Ce6Al4Co2 cuboctahedra, edges with six equivalent Al(1)Ce6Al2Co4 cuboctahedra, faces with two equivalent Al(1)Ce6Al2Co4 cuboctahedra, faces with three equivalent Co(3)Ce6Al2Co4 cuboctahedra, faces with three equivalent Co(1)Ce6Al6 cuboctahedra, faces with six equivalent Co(2)Ce6Al2Co4 cuboctahedra, and faces with six equivalent Al(2)Ce6Al4Co2 cuboctahedra. In the second Al site, Al(2) is bonded to two equivalent Ce(2), four equivalent Ce(1), two equivalent Co(1), two equivalent Al(1), and two equivalent Al(2) atoms to form distorted AlCe6Al4Co2 cuboctahedra that share corners with four equivalent Co(3)Ce6Al2Co4 cuboctahedra, corners with four equivalent Al(1)Ce6Al2Co4 cuboctahedra, corners with four equivalent Al(2)Ce6Al4Co2 cuboctahedra, corners with six equivalent Co(2)Ce6Al2Co4 cuboctahedra, edges with two equivalent Al(2)Ce6Al4Co2 cuboctahedra, edges with four equivalent Co(2)Ce6Al2Co4 cuboctahedra, faces with two equivalent Co(2)Ce6Al2Co4 cuboctahedra, faces with two equivalent Co(3)Ce6Al2Co4 cuboctahedra, faces with four equivalent Co(1)Ce6Al6 cuboctahedra, faces with four equivalent Al(2)Ce6Al4Co2 cuboctahedra, and faces with six equivalent Al(1)Ce6Al2Co4 cuboctahedra.
CeCoAl crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 12-coordinate geometry to three equivalent Ce(2), one Co(3), two equivalent Co(1), two equivalent Co(2), three equivalent Al(1), and four equivalent Al(2) atoms. There are two shorter (3.24 Å) and one longer (3.27 Å) Ce(1)-Ce(2) bond length. The Ce(1)-Co(3) bond length is 2.84 Å. Both Ce(1)-Co(1) bond lengths are 3.24 Å. Both Ce(1)-Co(2) bond lengths are 2.81 Å. There are two shorter (3.11 Å) and one longer (3.16 Å) Ce(1)-Al(1) bond length. There are two shorter (3.22 Å) and two longer (3.23 Å) Ce(1)-Al(2) bond lengths. In the second Ce site, Ce(2) is bonded in a 16-coordinate geometry to one Ce(2), three equivalent Ce(1), one Co(1), two equivalent Co(3), four equivalent Co(2), two equivalent Al(2), and three equivalent Al(1) atoms. The Ce(2)-Ce(2) bond length is 2.78 Å. The Ce(2)-Co(1) bond length is 3.14 Å. Both Ce(2)-Co(3) bond lengths are 3.04 Å. There are two shorter (2.98 Å) and two longer (3.07 Å) Ce(2)-Co(2) bond lengths. Both Ce(2)-Al(2) bond lengths are 3.16 Å. There is one shorter (3.07 Å) and two longer (3.20 Å) Ce(2)-Al(1) bond lengths. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent Ce(2), four equivalent Ce(1), two equivalent Al(1), and four equivalent Al(2) atoms to form CoCe6Al6 cuboctahedra that share corners with two equivalent Co(3)Ce6Al2Co4 cuboctahedra, corners with four equivalent Co(1)Ce6Al6 cuboctahedra, corners with four equivalent Al(1)Ce6Al2Co4 cuboctahedra, corners with eight equivalent Co(2)Ce6Al2Co4 cuboctahedra, edges with two equivalent Co(1)Ce6Al6 cuboctahedra, edges with four equivalent Co(3)Ce6Al2Co4 cuboctahedra, faces with four equivalent Co(2)Ce6Al2Co4 cuboctahedra, faces with six equivalent Al(1)Ce6Al2Co4 cuboctahedra, and faces with eight equivalent Al(2)Ce6Al4Co2 cuboctahedra. Both Co(1)-Al(1) bond lengths are 2.66 Å. There are two shorter (2.65 Å) and two longer (2.71 Å) Co(1)-Al(2) bond lengths. In the second Co site, Co(2) is bonded to two equivalent Ce(1), four equivalent Ce(2), two equivalent Co(2), two equivalent Co(3), and two equivalent Al(1) atoms to form distorted CoCe6Al2Co4 cuboctahedra that share corners with four equivalent Co(2)Ce6Al2Co4 cuboctahedra, corners with four equivalent Co(1)Ce6Al6 cuboctahedra, corners with four equivalent Al(1)Ce6Al2Co4 cuboctahedra, corners with six equivalent Al(2)Ce6Al4Co2 cuboctahedra, edges with two equivalent Co(2)Ce6Al2Co4 cuboctahedra, edges with four equivalent Al(2)Ce6Al4Co2 cuboctahedra, faces with two equivalent Co(1)Ce6Al6 cuboctahedra, faces with two equivalent Al(2)Ce6Al4Co2 cuboctahedra, faces with four equivalent Co(2)Ce6Al2Co4 cuboctahedra, faces with four equivalent Co(3)Ce6Al2Co4 cuboctahedra, and faces with six equivalent Al(1)Ce6Al2Co4 cuboctahedra. There is one shorter (2.68 Å) and one longer (2.72 Å) Co(2)-Co(2) bond length. There is one shorter (2.68 Å) and one longer (2.69 Å) Co(2)-Co(3) bond length. Both Co(2)-Al(1) bond lengths are 2.51 Å. In the third Co site, Co(3) is bonded to two equivalent Ce(1), four equivalent Ce(2), four equivalent Co(2), and two equivalent Al(1) atoms to form distorted CoCe6Al2Co4 cuboctahedra that share corners with two equivalent Co(1)Ce6Al6 cuboctahedra, corners with four equivalent Co(3)Ce6Al2Co4 cuboctahedra, corners with four equivalent Al(1)Ce6Al2Co4 cuboctahedra, corners with eight equivalent Al(2)Ce6Al4Co2 cuboctahedra, edges with two equivalent Co(3)Ce6Al2Co4 cuboctahedra, edges with four equivalent Co(1)Ce6Al6 cuboctahedra, faces with four equivalent Al(2)Ce6Al4Co2 cuboctahedra, faces with six equivalent Al(1)Ce6Al2Co4 cuboctahedra, and faces with eight equivalent Co(2)Ce6Al2Co4 cuboctahedra. Both Co(3)-Al(1) bond lengths are 2.50 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to three equivalent Ce(1), three equivalent Ce(2), one Co(1), one Co(3), two equivalent Co(2), and two equivalent Al(2) atoms to form distorted AlCe6Al2Co4 cuboctahedra that share corners with two equivalent Co(3)Ce6Al2Co4 cuboctahedra, corners with two equivalent Co(1)Ce6Al6 cuboctahedra, corners with four equivalent Co(2)Ce6Al2Co4 cuboctahedra, corners with four equivalent Al(2)Ce6Al4Co2 cuboctahedra, edges with six equivalent Al(1)Ce6Al2Co4 cuboctahedra, faces with two equivalent Al(1)Ce6Al2Co4 cuboctahedra, faces with three equivalent Co(3)Ce6Al2Co4 cuboctahedra, faces with three equivalent Co(1)Ce6Al6 cuboctahedra, faces with six equivalent Co(2)Ce6Al2Co4 cuboctahedra, and faces with six equivalent Al(2)Ce6Al4Co2 cuboctahedra. Both Al(1)-Al(2) bond lengths are 2.71 Å. In the second Al site, Al(2) is bonded to two equivalent Ce(2), four equivalent Ce(1), two equivalent Co(1), two equivalent Al(1), and two equivalent Al(2) atoms to form distorted AlCe6Al4Co2 cuboctahedra that share corners with four equivalent Co(3)Ce6Al2Co4 cuboctahedra, corners with four equivalent Al(1)Ce6Al2Co4 cuboctahedra, corners with four equivalent Al(2)Ce6Al4Co2 cuboctahedra, corners with six equivalent Co(2)Ce6Al2Co4 cuboctahedra, edges with two equivalent Al(2)Ce6Al4Co2 cuboctahedra, edges with four equivalent Co(2)Ce6Al2Co4 cuboctahedra, faces with two equivalent Co(2)Ce6Al2Co4 cuboctahedra, faces with two equivalent Co(3)Ce6Al2Co4 cuboctahedra, faces with four equivalent Co(1)Ce6Al6 cuboctahedra, faces with four equivalent Al(2)Ce6Al4Co2 cuboctahedra, and faces with six equivalent Al(1)Ce6Al2Co4 cuboctahedra. There is one shorter (2.66 Å) and one longer (2.74 Å) Al(2)-Al(2) bond length.