ThPd3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded to six equivalent Pd(1) and six equivalent Pd(2) atoms to form ThPd12 cuboctahedra that share corners with six equivalent Th(1)Pd12 cuboctahedra, edges with twelve equivalent Pd(1)Th4Pd8 cuboctahedra, faces with two equivalent Th(1)Pd12 cuboctahedra, faces with six equivalent Th(2)Pd12 cuboctahedra, and faces with six equivalent Pd(1)Th4Pd8 cuboctahedra. In the second Th site, Th(2) is bonded to six equivalent Pd(1) and six equivalent Pd(2) atoms to form ThPd12 cuboctahedra that share corners with twelve equivalent Th(2)Pd12 cuboctahedra, edges with twelve equivalent Pd(1)Th4Pd8 cuboctahedra, faces with six equivalent Th(1)Pd12 cuboctahedra, and faces with six equivalent Pd(1)Th4Pd8 cuboctahedra. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to two equivalent Th(1), two equivalent Th(2), four equivalent Pd(1), and four equivalent Pd(2) atoms to form distorted PdTh4Pd8 cuboctahedra that share corners with twelve equivalent Pd(1)Th4Pd8 cuboctahedra, edges with four equivalent Th(1)Pd12 cuboctahedra, edges with four equivalent Th(2)Pd12 cuboctahedra, edges with eight equivalent Pd(1)Th4Pd8 cuboctahedra, faces with two equivalent Th(1)Pd12 cuboctahedra, faces with two equivalent Th(2)Pd12 cuboctahedra, and faces with four equivalent Pd(1)Th4Pd8 cuboctahedra. In the second Pd site, Pd(2) is bonded in a distorted square co-planar geometry to two equivalent Th(1), two equivalent Th(2), and four equivalent Pd(1) atoms.
ThPd3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded to six equivalent Pd(1) and six equivalent Pd(2) atoms to form ThPd12 cuboctahedra that share corners with six equivalent Th(1)Pd12 cuboctahedra, edges with twelve equivalent Pd(1)Th4Pd8 cuboctahedra, faces with two equivalent Th(1)Pd12 cuboctahedra, faces with six equivalent Th(2)Pd12 cuboctahedra, and faces with six equivalent Pd(1)Th4Pd8 cuboctahedra. All Th(1)-Pd(1) bond lengths are 3.05 Å. All Th(1)-Pd(2) bond lengths are 2.94 Å. In the second Th site, Th(2) is bonded to six equivalent Pd(1) and six equivalent Pd(2) atoms to form ThPd12 cuboctahedra that share corners with twelve equivalent Th(2)Pd12 cuboctahedra, edges with twelve equivalent Pd(1)Th4Pd8 cuboctahedra, faces with six equivalent Th(1)Pd12 cuboctahedra, and faces with six equivalent Pd(1)Th4Pd8 cuboctahedra. All Th(2)-Pd(1) bond lengths are 2.94 Å. All Th(2)-Pd(2) bond lengths are 3.00 Å. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to two equivalent Th(1), two equivalent Th(2), four equivalent Pd(1), and four equivalent Pd(2) atoms to form distorted PdTh4Pd8 cuboctahedra that share corners with twelve equivalent Pd(1)Th4Pd8 cuboctahedra, edges with four equivalent Th(1)Pd12 cuboctahedra, edges with four equivalent Th(2)Pd12 cuboctahedra, edges with eight equivalent Pd(1)Th4Pd8 cuboctahedra, faces with two equivalent Th(1)Pd12 cuboctahedra, faces with two equivalent Th(2)Pd12 cuboctahedra, and faces with four equivalent Pd(1)Th4Pd8 cuboctahedra. There are two shorter (2.81 Å) and two longer (3.08 Å) Pd(1)-Pd(1) bond lengths. All Pd(1)-Pd(2) bond lengths are 2.98 Å. In the second Pd site, Pd(2) is bonded in a distorted square co-planar geometry to two equivalent Th(1), two equivalent Th(2), and four equivalent Pd(1) atoms.