PrFeCo4 crystallizes in the hexagonal P-6m2 space group. Pr(1) is bonded in a 18-coordinate geometry to three equivalent Fe(1), three equivalent Co(1), and twelve equivalent Co(2) atoms. Fe(1) is bonded to three equivalent Pr(1), three equivalent Co(1), and six equivalent Co(2) atoms to form distorted FePr3Co9 cuboctahedra that share corners with nine equivalent Co(1)Pr3Fe3Co6 cuboctahedra, corners with twelve equivalent Co(2)Pr4Fe2Co6 cuboctahedra, edges with six equivalent Fe(1)Pr3Co9 cuboctahedra, faces with two equivalent Fe(1)Pr3Co9 cuboctahedra, faces with three equivalent Co(1)Pr3Fe3Co6 cuboctahedra, and faces with eighteen equivalent Co(2)Pr4Fe2Co6 cuboctahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent Pr(1), three equivalent Fe(1), and six equivalent Co(2) atoms to form distorted CoPr3Fe3Co6 cuboctahedra that share corners with nine equivalent Fe(1)Pr3Co9 cuboctahedra, corners with twelve equivalent Co(2)Pr4Fe2Co6 cuboctahedra, edges with six equivalent Co(1)Pr3Fe3Co6 cuboctahedra, faces with two equivalent Co(1)Pr3Fe3Co6 cuboctahedra, faces with three equivalent Fe(1)Pr3Co9 cuboctahedra, and faces with eighteen equivalent Co(2)Pr4Fe2Co6 cuboctahedra. In the second Co site, Co(2) is bonded to four equivalent Pr(1), two equivalent Fe(1), two equivalent Co(1), and four equivalent Co(2) atoms to form CoPr4Fe2Co6 cuboctahedra that share corners with four equivalent Fe(1)Pr3Co9 cuboctahedra, corners with four equivalent Co(1)Pr3Fe3Co6 cuboctahedra, corners with sixteen equivalent Co(2)Pr4Fe2Co6 cuboctahedra, edges with ten equivalent Co(2)Pr4Fe2Co6 cuboctahedra, faces with six equivalent Fe(1)Pr3Co9 cuboctahedra, faces with six equivalent Co(1)Pr3Fe3Co6 cuboctahedra, and faces with ten equivalent Co(2)Pr4Fe2Co6 cuboctahedra.
PrFeCo4 crystallizes in the hexagonal P-6m2 space group. Pr(1) is bonded in a 18-coordinate geometry to three equivalent Fe(1), three equivalent Co(1), and twelve equivalent Co(2) atoms. All Pr(1)-Fe(1) bond lengths are 2.93 Å. All Pr(1)-Co(1) bond lengths are 2.93 Å. All Pr(1)-Co(2) bond lengths are 3.21 Å. Fe(1) is bonded to three equivalent Pr(1), three equivalent Co(1), and six equivalent Co(2) atoms to form distorted FePr3Co9 cuboctahedra that share corners with nine equivalent Co(1)Pr3Fe3Co6 cuboctahedra, corners with twelve equivalent Co(2)Pr4Fe2Co6 cuboctahedra, edges with six equivalent Fe(1)Pr3Co9 cuboctahedra, faces with two equivalent Fe(1)Pr3Co9 cuboctahedra, faces with three equivalent Co(1)Pr3Fe3Co6 cuboctahedra, and faces with eighteen equivalent Co(2)Pr4Fe2Co6 cuboctahedra. All Fe(1)-Co(1) bond lengths are 2.93 Å. All Fe(1)-Co(2) bond lengths are 2.46 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent Pr(1), three equivalent Fe(1), and six equivalent Co(2) atoms to form distorted CoPr3Fe3Co6 cuboctahedra that share corners with nine equivalent Fe(1)Pr3Co9 cuboctahedra, corners with twelve equivalent Co(2)Pr4Fe2Co6 cuboctahedra, edges with six equivalent Co(1)Pr3Fe3Co6 cuboctahedra, faces with two equivalent Co(1)Pr3Fe3Co6 cuboctahedra, faces with three equivalent Fe(1)Pr3Co9 cuboctahedra, and faces with eighteen equivalent Co(2)Pr4Fe2Co6 cuboctahedra. All Co(1)-Co(2) bond lengths are 2.45 Å. In the second Co site, Co(2) is bonded to four equivalent Pr(1), two equivalent Fe(1), two equivalent Co(1), and four equivalent Co(2) atoms to form CoPr4Fe2Co6 cuboctahedra that share corners with four equivalent Fe(1)Pr3Co9 cuboctahedra, corners with four equivalent Co(1)Pr3Fe3Co6 cuboctahedra, corners with sixteen equivalent Co(2)Pr4Fe2Co6 cuboctahedra, edges with ten equivalent Co(2)Pr4Fe2Co6 cuboctahedra, faces with six equivalent Fe(1)Pr3Co9 cuboctahedra, faces with six equivalent Co(1)Pr3Fe3Co6 cuboctahedra, and faces with ten equivalent Co(2)Pr4Fe2Co6 cuboctahedra. There are two shorter (2.51 Å) and two longer (2.56 Å) Co(2)-Co(2) bond lengths.