UCoAl4 crystallizes in the hexagonal P-62m space group. U(1) is bonded in a 15-coordinate geometry to two equivalent Co(1), two equivalent Al(2), three equivalent Al(1), and eight equivalent Al(3) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted q6 geometry to three equivalent U(1) and six equivalent Al(3) atoms. In the second Co site, Co(2) is bonded in a 9-coordinate geometry to three equivalent Al(1) and six equivalent Al(2) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted single-bond geometry to three equivalent U(1), one Co(2), four equivalent Al(2), and four equivalent Al(3) atoms. In the second Al site, Al(2) is bonded in a 12-coordinate geometry to two equivalent U(1), two equivalent Co(2), two equivalent Al(2), two equivalent Al(3), and four equivalent Al(1) atoms. In the third Al site, Al(3) is bonded in a distorted water-like geometry to four equivalent U(1), two equivalent Co(1), one Al(2), two equivalent Al(1), and three equivalent Al(3) atoms.
UCoAl4 crystallizes in the hexagonal P-62m space group. U(1) is bonded in a 15-coordinate geometry to two equivalent Co(1), two equivalent Al(2), three equivalent Al(1), and eight equivalent Al(3) atoms. Both U(1)-Co(1) bond lengths are 2.75 Å. Both U(1)-Al(2) bond lengths are 2.99 Å. There is one shorter (3.03 Å) and two longer (3.26 Å) U(1)-Al(1) bond lengths. There are four shorter (3.11 Å) and four longer (3.19 Å) U(1)-Al(3) bond lengths. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted q6 geometry to three equivalent U(1) and six equivalent Al(3) atoms. All Co(1)-Al(3) bond lengths are 2.57 Å. In the second Co site, Co(2) is bonded in a 9-coordinate geometry to three equivalent Al(1) and six equivalent Al(2) atoms. All Co(2)-Al(1) bond lengths are 2.35 Å. All Co(2)-Al(2) bond lengths are 2.56 Å. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted single-bond geometry to three equivalent U(1), one Co(2), four equivalent Al(2), and four equivalent Al(3) atoms. All Al(1)-Al(2) bond lengths are 2.91 Å. All Al(1)-Al(3) bond lengths are 2.77 Å. In the second Al site, Al(2) is bonded in a 12-coordinate geometry to two equivalent U(1), two equivalent Co(2), two equivalent Al(2), two equivalent Al(3), and four equivalent Al(1) atoms. Both Al(2)-Al(2) bond lengths are 2.67 Å. Both Al(2)-Al(3) bond lengths are 2.77 Å. In the third Al site, Al(3) is bonded in a distorted water-like geometry to four equivalent U(1), two equivalent Co(1), one Al(2), two equivalent Al(1), and three equivalent Al(3) atoms. There are two shorter (2.70 Å) and one longer (2.89 Å) Al(3)-Al(3) bond length.