Th2(FeCo)5 crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 18-coordinate geometry to four equivalent Fe(1), four equivalent Fe(2), four equivalent Fe(3), two equivalent Co(1), and four equivalent Co(2) atoms. In the second Th site, Th(2) is bonded in a 18-coordinate geometry to four equivalent Fe(2), four equivalent Fe(3), two equivalent Co(2), four equivalent Co(1), and four equivalent Co(3) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to four equivalent Th(1), two equivalent Fe(2), two equivalent Fe(3), and four equivalent Co(2) atoms to form distorted FeTh4Fe4Co4 cuboctahedra that share corners with four equivalent Fe(2)Th4Fe3Co5 cuboctahedra, corners with four equivalent Fe(3)Th4Fe3Co5 cuboctahedra, corners with four equivalent Fe(1)Th4Fe4Co4 cuboctahedra, corners with four equivalent Co(3)Th4Fe4Co4 cuboctahedra, edges with two equivalent Fe(1)Th4Fe4Co4 cuboctahedra, edges with four equivalent Fe(2)Th4Fe3Co5 cuboctahedra, edges with four equivalent Fe(3)Th4Fe3Co5 cuboctahedra, faces with two equivalent Fe(1)Th4Fe4Co4 cuboctahedra, faces with four equivalent Fe(2)Th4Fe3Co5 cuboctahedra, and faces with four equivalent Fe(3)Th4Fe3Co5 cuboctahedra. In the second Fe site, Fe(2) is bonded to two equivalent Th(1), two equivalent Th(2), one Fe(1), two equivalent Fe(3), one Co(3), two equivalent Co(1), and two equivalent Co(2) atoms to form distorted FeTh4Fe3Co5 cuboctahedra that share corners with two equivalent Fe(1)Th4Fe4Co4 cuboctahedra, corners with two equivalent Co(3)Th4Fe4Co4 cuboctahedra, corners with six equivalent Fe(2)Th4Fe3Co5 cuboctahedra, corners with six equivalent Fe(3)Th4Fe3Co5 cuboctahedra, edges with two equivalent Fe(1)Th4Fe4Co4 cuboctahedra, edges with two equivalent Co(3)Th4Fe4Co4 cuboctahedra, edges with six equivalent Fe(3)Th4Fe3Co5 cuboctahedra, faces with two equivalent Fe(3)Th4Fe3Co5 cuboctahedra, faces with two equivalent Fe(1)Th4Fe4Co4 cuboctahedra, faces with two equivalent Co(3)Th4Fe4Co4 cuboctahedra, and faces with four equivalent Fe(2)Th4Fe3Co5 cuboctahedra. In the third Fe site, Fe(3) is bonded to two equivalent Th(1), two equivalent Th(2), one Fe(1), two equivalent Fe(2), one Co(3), two equivalent Co(1), and two equivalent Co(2) atoms to form distorted FeTh4Fe3Co5 cuboctahedra that share corners with two equivalent Fe(1)Th4Fe4Co4 cuboctahedra, corners with two equivalent Co(3)Th4Fe4Co4 cuboctahedra, corners with six equivalent Fe(2)Th4Fe3Co5 cuboctahedra, corners with six equivalent Fe(3)Th4Fe3Co5 cuboctahedra, edges with two equivalent Fe(1)Th4Fe4Co4 cuboctahedra, edges with two equivalent Co(3)Th4Fe4Co4 cuboctahedra, edges with six equivalent Fe(2)Th4Fe3Co5 cuboctahedra, faces with two equivalent Fe(2)Th4Fe3Co5 cuboctahedra, faces with two equivalent Fe(1)Th4Fe4Co4 cuboctahedra, faces with two equivalent Co(3)Th4Fe4Co4 cuboctahedra, and faces with four equivalent Fe(3)Th4Fe3Co5 cuboctahedra. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 9-coordinate geometry to one Th(1), two equivalent Th(2), two equivalent Fe(2), two equivalent Fe(3), and two equivalent Co(3) atoms. In the second Co site, Co(2) is bonded in a 9-coordinate geometry to one Th(2), two equivalent Th(1), two equivalent Fe(1), two equivalent Fe(2), and two equivalent Fe(3) atoms. In the third Co site, Co(3) is bonded to four equivalent Th(2), two equivalent Fe(2), two equivalent Fe(3), and four equivalent Co(1) atoms to form distorted CoTh4Fe4Co4 cuboctahedra that share corners with four equivalent Fe(2)Th4Fe3Co5 cuboctahedra, corners with four equivalent Fe(3)Th4Fe3Co5 cuboctahedra, corners with four equivalent Fe(1)Th4Fe4Co4 cuboctahedra, corners with four equivalent Co(3)Th4Fe4Co4 cuboctahedra, edges with two equivalent Co(3)Th4Fe4Co4 cuboctahedra, edges with four equivalent Fe(2)Th4Fe3Co5 cuboctahedra, edges with four equivalent Fe(3)Th4Fe3Co5 cuboctahedra, faces with two equivalent Co(3)Th4Fe4Co4 cuboctahedra, faces with four equivalent Fe(2)Th4Fe3Co5 cuboctahedra, and faces with four equivalent Fe(3)Th4Fe3Co5 cuboctahedra.
Th2(FeCo)5 crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 18-coordinate geometry to four equivalent Fe(1), four equivalent Fe(2), four equivalent Fe(3), two equivalent Co(1), and four equivalent Co(2) atoms. There are two shorter (3.20 Å) and two longer (3.22 Å) Th(1)-Fe(1) bond lengths. All Th(1)-Fe(2) bond lengths are 3.21 Å. All Th(1)-Fe(3) bond lengths are 3.23 Å. Both Th(1)-Co(1) bond lengths are 2.84 Å. There are two shorter (2.84 Å) and two longer (2.93 Å) Th(1)-Co(2) bond lengths. In the second Th site, Th(2) is bonded in a 18-coordinate geometry to four equivalent Fe(2), four equivalent Fe(3), two equivalent Co(2), four equivalent Co(1), and four equivalent Co(3) atoms. All Th(2)-Fe(2) bond lengths are 3.18 Å. All Th(2)-Fe(3) bond lengths are 3.18 Å. Both Th(2)-Co(2) bond lengths are 2.91 Å. There are two shorter (2.88 Å) and two longer (2.97 Å) Th(2)-Co(1) bond lengths. There are two shorter (3.18 Å) and two longer (3.23 Å) Th(2)-Co(3) bond lengths. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to four equivalent Th(1), two equivalent Fe(2), two equivalent Fe(3), and four equivalent Co(2) atoms to form distorted FeTh4Fe4Co4 cuboctahedra that share corners with four equivalent Fe(2)Th4Fe3Co5 cuboctahedra, corners with four equivalent Fe(3)Th4Fe3Co5 cuboctahedra, corners with four equivalent Fe(1)Th4Fe4Co4 cuboctahedra, corners with four equivalent Co(3)Th4Fe4Co4 cuboctahedra, edges with two equivalent Fe(1)Th4Fe4Co4 cuboctahedra, edges with four equivalent Fe(2)Th4Fe3Co5 cuboctahedra, edges with four equivalent Fe(3)Th4Fe3Co5 cuboctahedra, faces with two equivalent Fe(1)Th4Fe4Co4 cuboctahedra, faces with four equivalent Fe(2)Th4Fe3Co5 cuboctahedra, and faces with four equivalent Fe(3)Th4Fe3Co5 cuboctahedra. Both Fe(1)-Fe(2) bond lengths are 2.53 Å. Both Fe(1)-Fe(3) bond lengths are 2.54 Å. All Fe(1)-Co(2) bond lengths are 2.45 Å. In the second Fe site, Fe(2) is bonded to two equivalent Th(1), two equivalent Th(2), one Fe(1), two equivalent Fe(3), one Co(3), two equivalent Co(1), and two equivalent Co(2) atoms to form distorted FeTh4Fe3Co5 cuboctahedra that share corners with two equivalent Fe(1)Th4Fe4Co4 cuboctahedra, corners with two equivalent Co(3)Th4Fe4Co4 cuboctahedra, corners with six equivalent Fe(2)Th4Fe3Co5 cuboctahedra, corners with six equivalent Fe(3)Th4Fe3Co5 cuboctahedra, edges with two equivalent Fe(1)Th4Fe4Co4 cuboctahedra, edges with two equivalent Co(3)Th4Fe4Co4 cuboctahedra, edges with six equivalent Fe(3)Th4Fe3Co5 cuboctahedra, faces with two equivalent Fe(3)Th4Fe3Co5 cuboctahedra, faces with two equivalent Fe(1)Th4Fe4Co4 cuboctahedra, faces with two equivalent Co(3)Th4Fe4Co4 cuboctahedra, and faces with four equivalent Fe(2)Th4Fe3Co5 cuboctahedra. There is one shorter (2.50 Å) and one longer (2.52 Å) Fe(2)-Fe(3) bond length. The Fe(2)-Co(3) bond length is 2.50 Å. Both Fe(2)-Co(1) bond lengths are 2.42 Å. Both Fe(2)-Co(2) bond lengths are 2.51 Å. In the third Fe site, Fe(3) is bonded to two equivalent Th(1), two equivalent Th(2), one Fe(1), two equivalent Fe(2), one Co(3), two equivalent Co(1), and two equivalent Co(2) atoms to form distorted FeTh4Fe3Co5 cuboctahedra that share corners with two equivalent Fe(1)Th4Fe4Co4 cuboctahedra, corners with two equivalent Co(3)Th4Fe4Co4 cuboctahedra, corners with six equivalent Fe(2)Th4Fe3Co5 cuboctahedra, corners with six equivalent Fe(3)Th4Fe3Co5 cuboctahedra, edges with two equivalent Fe(1)Th4Fe4Co4 cuboctahedra, edges with two equivalent Co(3)Th4Fe4Co4 cuboctahedra, edges with six equivalent Fe(2)Th4Fe3Co5 cuboctahedra, faces with two equivalent Fe(2)Th4Fe3Co5 cuboctahedra, faces with two equivalent Fe(1)Th4Fe4Co4 cuboctahedra, faces with two equivalent Co(3)Th4Fe4Co4 cuboctahedra, and faces with four equivalent Fe(3)Th4Fe3Co5 cuboctahedra. The Fe(3)-Co(3) bond length is 2.45 Å. Both Fe(3)-Co(1) bond lengths are 2.46 Å. Both Fe(3)-Co(2) bond lengths are 2.45 Å. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 9-coordinate geometry to one Th(1), two equivalent Th(2), two equivalent Fe(2), two equivalent Fe(3), and two equivalent Co(3) atoms. Both Co(1)-Co(3) bond lengths are 2.49 Å. In the second Co site, Co(2) is bonded in a 9-coordinate geometry to one Th(2), two equivalent Th(1), two equivalent Fe(1), two equivalent Fe(2), and two equivalent Fe(3) atoms. In the third Co site, Co(3) is bonded to four equivalent Th(2), two equivalent Fe(2), two equivalent Fe(3), and four equivalent Co(1) atoms to form distorted CoTh4Fe4Co4 cuboctahedra that share corners with four equivalent Fe(2)Th4Fe3Co5 cuboctahedra, corners with four equivalent Fe(3)Th4Fe3Co5 cuboctahedra, corners with four equivalent Fe(1)Th4Fe4Co4 cuboctahedra, corners with four equivalent Co(3)Th4Fe4Co4 cuboctahedra, edges with two equivalent Co(3)Th4Fe4Co4 cuboctahedra, edges with four equivalent Fe(2)Th4Fe3Co5 cuboctahedra, edges with four equivalent Fe(3)Th4Fe3Co5 cuboctahedra, faces with two equivalent Co(3)Th4Fe4Co4 cuboctahedra, faces with four equivalent Fe(2)Th4Fe3Co5 cuboctahedra, and faces with four equivalent Fe(3)Th4Fe3Co5 cuboctahedra.