Th2(FeNi)5 crystallizes in the orthorhombic Pmmm space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 18-coordinate geometry to two equivalent Fe(1), four equivalent Fe(2), four equivalent Ni(1), and eight equivalent Ni(2) atoms. In the second Th site, Th(2) is bonded in a 18-coordinate geometry to two equivalent Fe(2), four equivalent Fe(1), four equivalent Fe(3), and eight equivalent Ni(2) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 9-coordinate geometry to one Th(1), two equivalent Th(2), two equivalent Fe(3), and four equivalent Ni(2) atoms. In the second Fe site, Fe(2) is bonded in a 9-coordinate geometry to one Th(2), two equivalent Th(1), two equivalent Ni(1), and four equivalent Ni(2) atoms. In the third Fe site, Fe(3) is bonded to four equivalent Th(2), four equivalent Fe(1), and four equivalent Ni(2) atoms to form distorted FeTh4Fe4Ni4 cuboctahedra that share corners with four equivalent Fe(3)Th4Fe4Ni4 cuboctahedra, corners with four equivalent Ni(1)Th4Fe4Ni4 cuboctahedra, corners with eight equivalent Ni(2)Th4Fe5Ni3 cuboctahedra, edges with two equivalent Fe(3)Th4Fe4Ni4 cuboctahedra, edges with eight equivalent Ni(2)Th4Fe5Ni3 cuboctahedra, faces with two equivalent Fe(3)Th4Fe4Ni4 cuboctahedra, and faces with eight equivalent Ni(2)Th4Fe5Ni3 cuboctahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to four equivalent Th(1), four equivalent Fe(2), and four equivalent Ni(2) atoms to form distorted NiTh4Fe4Ni4 cuboctahedra that share corners with four equivalent Fe(3)Th4Fe4Ni4 cuboctahedra, corners with four equivalent Ni(1)Th4Fe4Ni4 cuboctahedra, corners with eight equivalent Ni(2)Th4Fe5Ni3 cuboctahedra, edges with two equivalent Ni(1)Th4Fe4Ni4 cuboctahedra, edges with eight equivalent Ni(2)Th4Fe5Ni3 cuboctahedra, faces with two equivalent Ni(1)Th4Fe4Ni4 cuboctahedra, and faces with eight equivalent Ni(2)Th4Fe5Ni3 cuboctahedra. In the second Ni site, Ni(2) is bonded to two equivalent Th(1), two equivalent Th(2), one Fe(3), two equivalent Fe(1), two equivalent Fe(2), one Ni(1), and two equivalent Ni(2) atoms to form distorted NiTh4Fe5Ni3 cuboctahedra that share corners with two equivalent Fe(3)Th4Fe4Ni4 cuboctahedra, corners with two equivalent Ni(1)Th4Fe4Ni4 cuboctahedra, corners with twelve equivalent Ni(2)Th4Fe5Ni3 cuboctahedra, edges with two equivalent Fe(3)Th4Fe4Ni4 cuboctahedra, edges with two equivalent Ni(1)Th4Fe4Ni4 cuboctahedra, edges with six equivalent Ni(2)Th4Fe5Ni3 cuboctahedra, faces with two equivalent Fe(3)Th4Fe4Ni4 cuboctahedra, faces with two equivalent Ni(1)Th4Fe4Ni4 cuboctahedra, and faces with six equivalent Ni(2)Th4Fe5Ni3 cuboctahedra.
Th2(FeNi)5 crystallizes in the orthorhombic Pmmm space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 18-coordinate geometry to two equivalent Fe(1), four equivalent Fe(2), four equivalent Ni(1), and eight equivalent Ni(2) atoms. Both Th(1)-Fe(1) bond lengths are 2.92 Å. All Th(1)-Fe(2) bond lengths are 2.91 Å. All Th(1)-Ni(1) bond lengths are 3.22 Å. All Th(1)-Ni(2) bond lengths are 3.20 Å. In the second Th site, Th(2) is bonded in a 18-coordinate geometry to two equivalent Fe(2), four equivalent Fe(1), four equivalent Fe(3), and eight equivalent Ni(2) atoms. Both Th(2)-Fe(2) bond lengths are 2.87 Å. All Th(2)-Fe(1) bond lengths are 2.88 Å. All Th(2)-Fe(3) bond lengths are 3.22 Å. All Th(2)-Ni(2) bond lengths are 3.20 Å. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 9-coordinate geometry to one Th(1), two equivalent Th(2), two equivalent Fe(3), and four equivalent Ni(2) atoms. Both Fe(1)-Fe(3) bond lengths are 2.44 Å. All Fe(1)-Ni(2) bond lengths are 2.49 Å. In the second Fe site, Fe(2) is bonded in a 9-coordinate geometry to one Th(2), two equivalent Th(1), two equivalent Ni(1), and four equivalent Ni(2) atoms. Both Fe(2)-Ni(1) bond lengths are 2.47 Å. All Fe(2)-Ni(2) bond lengths are 2.46 Å. In the third Fe site, Fe(3) is bonded to four equivalent Th(2), four equivalent Fe(1), and four equivalent Ni(2) atoms to form distorted FeTh4Fe4Ni4 cuboctahedra that share corners with four equivalent Fe(3)Th4Fe4Ni4 cuboctahedra, corners with four equivalent Ni(1)Th4Fe4Ni4 cuboctahedra, corners with eight equivalent Ni(2)Th4Fe5Ni3 cuboctahedra, edges with two equivalent Fe(3)Th4Fe4Ni4 cuboctahedra, edges with eight equivalent Ni(2)Th4Fe5Ni3 cuboctahedra, faces with two equivalent Fe(3)Th4Fe4Ni4 cuboctahedra, and faces with eight equivalent Ni(2)Th4Fe5Ni3 cuboctahedra. All Fe(3)-Ni(2) bond lengths are 2.51 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to four equivalent Th(1), four equivalent Fe(2), and four equivalent Ni(2) atoms to form distorted NiTh4Fe4Ni4 cuboctahedra that share corners with four equivalent Fe(3)Th4Fe4Ni4 cuboctahedra, corners with four equivalent Ni(1)Th4Fe4Ni4 cuboctahedra, corners with eight equivalent Ni(2)Th4Fe5Ni3 cuboctahedra, edges with two equivalent Ni(1)Th4Fe4Ni4 cuboctahedra, edges with eight equivalent Ni(2)Th4Fe5Ni3 cuboctahedra, faces with two equivalent Ni(1)Th4Fe4Ni4 cuboctahedra, and faces with eight equivalent Ni(2)Th4Fe5Ni3 cuboctahedra. All Ni(1)-Ni(2) bond lengths are 2.49 Å. In the second Ni site, Ni(2) is bonded to two equivalent Th(1), two equivalent Th(2), one Fe(3), two equivalent Fe(1), two equivalent Fe(2), one Ni(1), and two equivalent Ni(2) atoms to form distorted NiTh4Fe5Ni3 cuboctahedra that share corners with two equivalent Fe(3)Th4Fe4Ni4 cuboctahedra, corners with two equivalent Ni(1)Th4Fe4Ni4 cuboctahedra, corners with twelve equivalent Ni(2)Th4Fe5Ni3 cuboctahedra, edges with two equivalent Fe(3)Th4Fe4Ni4 cuboctahedra, edges with two equivalent Ni(1)Th4Fe4Ni4 cuboctahedra, edges with six equivalent Ni(2)Th4Fe5Ni3 cuboctahedra, faces with two equivalent Fe(3)Th4Fe4Ni4 cuboctahedra, faces with two equivalent Ni(1)Th4Fe4Ni4 cuboctahedra, and faces with six equivalent Ni(2)Th4Fe5Ni3 cuboctahedra. There is one shorter (2.50 Å) and one longer (2.54 Å) Ni(2)-Ni(2) bond length.