ThFe4Co crystallizes in the orthorhombic Amm2 space group. Th(1) is bonded in a 18-coordinate geometry to three equivalent Fe(1), four equivalent Fe(3), eight equivalent Fe(2), and three equivalent Co(1) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent Th(1), two equivalent Fe(3), four equivalent Fe(2), and three equivalent Co(1) atoms to form distorted FeTh3Fe6Co3 cuboctahedra that share corners with four equivalent Fe(3)Th4Fe6Co2 cuboctahedra, corners with eight equivalent Fe(2)Th4Fe6Co2 cuboctahedra, corners with nine equivalent Co(1)Th3Fe9 cuboctahedra, edges with six equivalent Fe(1)Th3Fe6Co3 cuboctahedra, faces with two equivalent Fe(1)Th3Fe6Co3 cuboctahedra, faces with three equivalent Co(1)Th3Fe9 cuboctahedra, faces with six equivalent Fe(3)Th4Fe6Co2 cuboctahedra, and faces with twelve equivalent Fe(2)Th4Fe6Co2 cuboctahedra. In the second Fe site, Fe(2) is bonded to four equivalent Th(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), and two equivalent Co(1) atoms to form FeTh4Fe6Co2 cuboctahedra that share corners with four equivalent Fe(1)Th3Fe6Co3 cuboctahedra, corners with four equivalent Fe(3)Th4Fe6Co2 cuboctahedra, corners with four equivalent Co(1)Th3Fe9 cuboctahedra, corners with twelve equivalent Fe(2)Th4Fe6Co2 cuboctahedra, edges with four equivalent Fe(3)Th4Fe6Co2 cuboctahedra, edges with six equivalent Fe(2)Th4Fe6Co2 cuboctahedra, faces with four equivalent Fe(3)Th4Fe6Co2 cuboctahedra, faces with six equivalent Fe(1)Th3Fe6Co3 cuboctahedra, faces with six equivalent Fe(2)Th4Fe6Co2 cuboctahedra, and faces with six equivalent Co(1)Th3Fe9 cuboctahedra. In the third Fe site, Fe(3) is bonded to four equivalent Th(1), two equivalent Fe(1), four equivalent Fe(2), and two equivalent Co(1) atoms to form distorted FeTh4Fe6Co2 cuboctahedra that share corners with four equivalent Fe(1)Th3Fe6Co3 cuboctahedra, corners with four equivalent Co(1)Th3Fe9 cuboctahedra, corners with eight equivalent Fe(2)Th4Fe6Co2 cuboctahedra, corners with eight equivalent Fe(3)Th4Fe6Co2 cuboctahedra, edges with two equivalent Fe(3)Th4Fe6Co2 cuboctahedra, edges with eight equivalent Fe(2)Th4Fe6Co2 cuboctahedra, faces with two equivalent Fe(3)Th4Fe6Co2 cuboctahedra, faces with six equivalent Fe(1)Th3Fe6Co3 cuboctahedra, faces with six equivalent Co(1)Th3Fe9 cuboctahedra, and faces with eight equivalent Fe(2)Th4Fe6Co2 cuboctahedra. Co(1) is bonded to three equivalent Th(1), two equivalent Fe(3), three equivalent Fe(1), and four equivalent Fe(2) atoms to form distorted CoTh3Fe9 cuboctahedra that share corners with four equivalent Fe(3)Th4Fe6Co2 cuboctahedra, corners with eight equivalent Fe(2)Th4Fe6Co2 cuboctahedra, corners with nine equivalent Fe(1)Th3Fe6Co3 cuboctahedra, edges with six equivalent Co(1)Th3Fe9 cuboctahedra, faces with two equivalent Co(1)Th3Fe9 cuboctahedra, faces with three equivalent Fe(1)Th3Fe6Co3 cuboctahedra, faces with six equivalent Fe(3)Th4Fe6Co2 cuboctahedra, and faces with twelve equivalent Fe(2)Th4Fe6Co2 cuboctahedra.
ThFe4Co crystallizes in the orthorhombic Amm2 space group. Th(1) is bonded in a 18-coordinate geometry to three equivalent Fe(1), four equivalent Fe(3), eight equivalent Fe(2), and three equivalent Co(1) atoms. There is one shorter (2.92 Å) and two longer (2.93 Å) Th(1)-Fe(1) bond lengths. All Th(1)-Fe(3) bond lengths are 3.25 Å. All Th(1)-Fe(2) bond lengths are 3.24 Å. There is one shorter (2.92 Å) and two longer (2.93 Å) Th(1)-Co(1) bond lengths. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent Th(1), two equivalent Fe(3), four equivalent Fe(2), and three equivalent Co(1) atoms to form distorted FeTh3Fe6Co3 cuboctahedra that share corners with four equivalent Fe(3)Th4Fe6Co2 cuboctahedra, corners with eight equivalent Fe(2)Th4Fe6Co2 cuboctahedra, corners with nine equivalent Co(1)Th3Fe9 cuboctahedra, edges with six equivalent Fe(1)Th3Fe6Co3 cuboctahedra, faces with two equivalent Fe(1)Th3Fe6Co3 cuboctahedra, faces with three equivalent Co(1)Th3Fe9 cuboctahedra, faces with six equivalent Fe(3)Th4Fe6Co2 cuboctahedra, and faces with twelve equivalent Fe(2)Th4Fe6Co2 cuboctahedra. Both Fe(1)-Fe(3) bond lengths are 2.50 Å. All Fe(1)-Fe(2) bond lengths are 2.50 Å. There is one shorter (2.92 Å) and two longer (2.93 Å) Fe(1)-Co(1) bond lengths. In the second Fe site, Fe(2) is bonded to four equivalent Th(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), and two equivalent Co(1) atoms to form FeTh4Fe6Co2 cuboctahedra that share corners with four equivalent Fe(1)Th3Fe6Co3 cuboctahedra, corners with four equivalent Fe(3)Th4Fe6Co2 cuboctahedra, corners with four equivalent Co(1)Th3Fe9 cuboctahedra, corners with twelve equivalent Fe(2)Th4Fe6Co2 cuboctahedra, edges with four equivalent Fe(3)Th4Fe6Co2 cuboctahedra, edges with six equivalent Fe(2)Th4Fe6Co2 cuboctahedra, faces with four equivalent Fe(3)Th4Fe6Co2 cuboctahedra, faces with six equivalent Fe(1)Th3Fe6Co3 cuboctahedra, faces with six equivalent Fe(2)Th4Fe6Co2 cuboctahedra, and faces with six equivalent Co(1)Th3Fe9 cuboctahedra. There is one shorter (2.53 Å) and one longer (2.54 Å) Fe(2)-Fe(2) bond length. Both Fe(2)-Fe(3) bond lengths are 2.53 Å. Both Fe(2)-Co(1) bond lengths are 2.50 Å. In the third Fe site, Fe(3) is bonded to four equivalent Th(1), two equivalent Fe(1), four equivalent Fe(2), and two equivalent Co(1) atoms to form distorted FeTh4Fe6Co2 cuboctahedra that share corners with four equivalent Fe(1)Th3Fe6Co3 cuboctahedra, corners with four equivalent Co(1)Th3Fe9 cuboctahedra, corners with eight equivalent Fe(2)Th4Fe6Co2 cuboctahedra, corners with eight equivalent Fe(3)Th4Fe6Co2 cuboctahedra, edges with two equivalent Fe(3)Th4Fe6Co2 cuboctahedra, edges with eight equivalent Fe(2)Th4Fe6Co2 cuboctahedra, faces with two equivalent Fe(3)Th4Fe6Co2 cuboctahedra, faces with six equivalent Fe(1)Th3Fe6Co3 cuboctahedra, faces with six equivalent Co(1)Th3Fe9 cuboctahedra, and faces with eight equivalent Fe(2)Th4Fe6Co2 cuboctahedra. Both Fe(3)-Co(1) bond lengths are 2.50 Å. Co(1) is bonded to three equivalent Th(1), two equivalent Fe(3), three equivalent Fe(1), and four equivalent Fe(2) atoms to form distorted CoTh3Fe9 cuboctahedra that share corners with four equivalent Fe(3)Th4Fe6Co2 cuboctahedra, corners with eight equivalent Fe(2)Th4Fe6Co2 cuboctahedra, corners with nine equivalent Fe(1)Th3Fe6Co3 cuboctahedra, edges with six equivalent Co(1)Th3Fe9 cuboctahedra, faces with two equivalent Co(1)Th3Fe9 cuboctahedra, faces with three equivalent Fe(1)Th3Fe6Co3 cuboctahedra, faces with six equivalent Fe(3)Th4Fe6Co2 cuboctahedra, and faces with twelve equivalent Fe(2)Th4Fe6Co2 cuboctahedra.