PrCo4Al crystallizes in the hexagonal P-6m2 space group. Pr(1) is bonded in a 18-coordinate geometry to three equivalent Co(1), twelve equivalent Co(2), and three equivalent Al(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent Pr(1), six equivalent Co(2), and three equivalent Al(1) atoms to form distorted CoPr3Al3Co6 cuboctahedra that share corners with twelve equivalent Co(2)Pr4Al2Co6 cuboctahedra, edges with six equivalent Co(1)Pr3Al3Co6 cuboctahedra, faces with two equivalent Co(1)Pr3Al3Co6 cuboctahedra, and faces with eighteen equivalent Co(2)Pr4Al2Co6 cuboctahedra. In the second Co site, Co(2) is bonded to four equivalent Pr(1), two equivalent Co(1), four equivalent Co(2), and two equivalent Al(1) atoms to form distorted CoPr4Al2Co6 cuboctahedra that share corners with four equivalent Co(1)Pr3Al3Co6 cuboctahedra, corners with sixteen equivalent Co(2)Pr4Al2Co6 cuboctahedra, edges with ten equivalent Co(2)Pr4Al2Co6 cuboctahedra, faces with six equivalent Co(1)Pr3Al3Co6 cuboctahedra, and faces with ten equivalent Co(2)Pr4Al2Co6 cuboctahedra. Al(1) is bonded in a 12-coordinate geometry to three equivalent Pr(1), three equivalent Co(1), and six equivalent Co(2) atoms.
PrCo4Al crystallizes in the hexagonal P-6m2 space group. Pr(1) is bonded in a 18-coordinate geometry to three equivalent Co(1), twelve equivalent Co(2), and three equivalent Al(1) atoms. All Pr(1)-Co(1) bond lengths are 3.00 Å. All Pr(1)-Co(2) bond lengths are 3.24 Å. All Pr(1)-Al(1) bond lengths are 3.00 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent Pr(1), six equivalent Co(2), and three equivalent Al(1) atoms to form distorted CoPr3Al3Co6 cuboctahedra that share corners with twelve equivalent Co(2)Pr4Al2Co6 cuboctahedra, edges with six equivalent Co(1)Pr3Al3Co6 cuboctahedra, faces with two equivalent Co(1)Pr3Al3Co6 cuboctahedra, and faces with eighteen equivalent Co(2)Pr4Al2Co6 cuboctahedra. All Co(1)-Co(2) bond lengths are 2.43 Å. All Co(1)-Al(1) bond lengths are 3.00 Å. In the second Co site, Co(2) is bonded to four equivalent Pr(1), two equivalent Co(1), four equivalent Co(2), and two equivalent Al(1) atoms to form distorted CoPr4Al2Co6 cuboctahedra that share corners with four equivalent Co(1)Pr3Al3Co6 cuboctahedra, corners with sixteen equivalent Co(2)Pr4Al2Co6 cuboctahedra, edges with ten equivalent Co(2)Pr4Al2Co6 cuboctahedra, faces with six equivalent Co(1)Pr3Al3Co6 cuboctahedra, and faces with ten equivalent Co(2)Pr4Al2Co6 cuboctahedra. There are two shorter (2.53 Å) and two longer (2.66 Å) Co(2)-Co(2) bond lengths. Both Co(2)-Al(1) bond lengths are 2.47 Å. Al(1) is bonded in a 12-coordinate geometry to three equivalent Pr(1), three equivalent Co(1), and six equivalent Co(2) atoms.