YbCoAl crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 12-coordinate geometry to three equivalent Yb(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 Yb site, Yb(2) is bonded in a 16-coordinate geometry to one Yb(2), three equivalent Yb(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 Yb(2), four equivalent Yb(1), two equivalent Al(1), and four equivalent Al(2) atoms to form CoYb6Al6 cuboctahedra that share corners with four equivalent Co(1)Yb6Al6 cuboctahedra, corners with four equivalent Al(1)Yb6Al2Co4 cuboctahedra, edges with two equivalent Co(1)Yb6Al6 cuboctahedra, faces with six equivalent Al(1)Yb6Al2Co4 cuboctahedra, and faces with eight equivalent Al(2)Yb6Al4Co2 cuboctahedra. In the second Co site, Co(2) is bonded in a 12-coordinate geometry to two equivalent Yb(1), four equivalent Yb(2), two equivalent Co(2), two equivalent Co(3), and two equivalent Al(1) atoms. In the third Co site, Co(3) is bonded in a 12-coordinate geometry to two equivalent Yb(1), four equivalent Yb(2), four equivalent Co(2), and two equivalent Al(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to three equivalent Yb(1), three equivalent Yb(2), one Co(1), one Co(3), two equivalent Co(2), and two equivalent Al(2) atoms to form distorted AlYb6Al2Co4 cuboctahedra that share corners with two equivalent Co(1)Yb6Al6 cuboctahedra, corners with four equivalent Al(2)Yb6Al4Co2 cuboctahedra, edges with six equivalent Al(1)Yb6Al2Co4 cuboctahedra, faces with two equivalent Al(1)Yb6Al2Co4 cuboctahedra, faces with three equivalent Co(1)Yb6Al6 cuboctahedra, and faces with six equivalent Al(2)Yb6Al4Co2 cuboctahedra. In the second Al site, Al(2) is bonded to two equivalent Yb(2), four equivalent Yb(1), two equivalent Co(1), two equivalent Al(1), and two equivalent Al(2) atoms to form distorted AlYb6Al4Co2 cuboctahedra that share corners with four equivalent Al(1)Yb6Al2Co4 cuboctahedra, corners with four equivalent Al(2)Yb6Al4Co2 cuboctahedra, edges with two equivalent Al(2)Yb6Al4Co2 cuboctahedra, faces with four equivalent Co(1)Yb6Al6 cuboctahedra, faces with four equivalent Al(2)Yb6Al4Co2 cuboctahedra, and faces with six equivalent Al(1)Yb6Al2Co4 cuboctahedra.
YbCoAl crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 12-coordinate geometry to three equivalent Yb(2), one Co(3), two equivalent Co(1), two equivalent Co(2), three equivalent Al(1), and four equivalent Al(2) atoms. There is one shorter (3.22 Å) and two longer (3.28 Å) Yb(1)-Yb(2) bond lengths. The Yb(1)-Co(3) bond length is 2.93 Å. Both Yb(1)-Co(1) bond lengths are 3.19 Å. Both Yb(1)-Co(2) bond lengths are 2.92 Å. There are two shorter (3.13 Å) and one longer (3.15 Å) Yb(1)-Al(1) bond length. There are two shorter (3.12 Å) and two longer (3.16 Å) Yb(1)-Al(2) bond lengths. In the second Yb site, Yb(2) is bonded in a 16-coordinate geometry to one Yb(2), three equivalent Yb(1), one Co(1), two equivalent Co(3), four equivalent Co(2), two equivalent Al(2), and three equivalent Al(1) atoms. The Yb(2)-Yb(2) bond length is 2.91 Å. The Yb(2)-Co(1) bond length is 3.17 Å. Both Yb(2)-Co(3) bond lengths are 3.07 Å. There are two shorter (3.01 Å) and two longer (3.03 Å) Yb(2)-Co(2) bond lengths. Both Yb(2)-Al(2) bond lengths are 3.18 Å. There is one shorter (3.00 Å) and two longer (3.17 Å) Yb(2)-Al(1) bond lengths. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent Yb(2), four equivalent Yb(1), two equivalent Al(1), and four equivalent Al(2) atoms to form CoYb6Al6 cuboctahedra that share corners with four equivalent Co(1)Yb6Al6 cuboctahedra, corners with four equivalent Al(1)Yb6Al2Co4 cuboctahedra, edges with two equivalent Co(1)Yb6Al6 cuboctahedra, faces with six equivalent Al(1)Yb6Al2Co4 cuboctahedra, and faces with eight equivalent Al(2)Yb6Al4Co2 cuboctahedra. Both Co(1)-Al(1) bond lengths are 2.72 Å. There are two shorter (2.62 Å) and two longer (2.66 Å) Co(1)-Al(2) bond lengths. In the second Co site, Co(2) is bonded in a 12-coordinate geometry to two equivalent Yb(1), four equivalent Yb(2), two equivalent Co(2), two equivalent Co(3), and two equivalent Al(1) atoms. There is one shorter (2.50 Å) and one longer (2.90 Å) Co(2)-Co(2) bond length. There is one shorter (2.48 Å) and one longer (2.81 Å) Co(2)-Co(3) bond length. Both Co(2)-Al(1) bond lengths are 2.54 Å. In the third Co site, Co(3) is bonded in a 12-coordinate geometry to two equivalent Yb(1), four equivalent Yb(2), four equivalent Co(2), and two equivalent Al(1) atoms. Both Co(3)-Al(1) bond lengths are 2.54 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to three equivalent Yb(1), three equivalent Yb(2), one Co(1), one Co(3), two equivalent Co(2), and two equivalent Al(2) atoms to form distorted AlYb6Al2Co4 cuboctahedra that share corners with two equivalent Co(1)Yb6Al6 cuboctahedra, corners with four equivalent Al(2)Yb6Al4Co2 cuboctahedra, edges with six equivalent Al(1)Yb6Al2Co4 cuboctahedra, faces with two equivalent Al(1)Yb6Al2Co4 cuboctahedra, faces with three equivalent Co(1)Yb6Al6 cuboctahedra, and faces with six equivalent Al(2)Yb6Al4Co2 cuboctahedra. Both Al(1)-Al(2) bond lengths are 2.81 Å. In the second Al site, Al(2) is bonded to two equivalent Yb(2), four equivalent Yb(1), two equivalent Co(1), two equivalent Al(1), and two equivalent Al(2) atoms to form distorted AlYb6Al4Co2 cuboctahedra that share corners with four equivalent Al(1)Yb6Al2Co4 cuboctahedra, corners with four equivalent Al(2)Yb6Al4Co2 cuboctahedra, edges with two equivalent Al(2)Yb6Al4Co2 cuboctahedra, faces with four equivalent Co(1)Yb6Al6 cuboctahedra, faces with four equivalent Al(2)Yb6Al4Co2 cuboctahedra, and faces with six equivalent Al(1)Yb6Al2Co4 cuboctahedra. There is one shorter (2.69 Å) and one longer (2.72 Å) Al(2)-Al(2) bond length.