Pd3Mn is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Mn(1) is bonded to four equivalent Pd(1), four equivalent Pd(2), and four equivalent Pd(3) atoms to form MnPd12 cuboctahedra that share corners with four equivalent Pd(1)Mn4Pd8 cuboctahedra, corners with eight equivalent Mn(1)Pd12 cuboctahedra, edges with four equivalent Mn(1)Pd12 cuboctahedra, edges with four equivalent Pd(1)Mn4Pd8 cuboctahedra, edges with eight equivalent Pd(2)Mn4Pd8 cuboctahedra, edges with eight equivalent Pd(3)Mn4Pd8 cuboctahedra, faces with four equivalent Pd(2)Mn4Pd8 cuboctahedra, faces with four equivalent Pd(3)Mn4Pd8 cuboctahedra, faces with five equivalent Mn(1)Pd12 cuboctahedra, and faces with five equivalent Pd(1)Mn4Pd8 cuboctahedra. There are three inequivalent Pd sites. In the first Pd site, Pd(3) is bonded to four equivalent Mn(1), four equivalent Pd(1), and four equivalent Pd(3) atoms to form distorted PdMn4Pd8 cuboctahedra that share corners with four equivalent Pd(3)Mn4Pd8 cuboctahedra, corners with eight equivalent Pd(2)Mn4Pd8 cuboctahedra, edges with eight equivalent Mn(1)Pd12 cuboctahedra, edges with eight equivalent Pd(1)Mn4Pd8 cuboctahedra, edges with eight equivalent Pd(2)Mn4Pd8 cuboctahedra, faces with two equivalent Pd(2)Mn4Pd8 cuboctahedra, faces with four equivalent Mn(1)Pd12 cuboctahedra, faces with four equivalent Pd(1)Mn4Pd8 cuboctahedra, and faces with eight equivalent Pd(3)Mn4Pd8 cuboctahedra. In the second Pd site, Pd(1) is bonded to four equivalent Mn(1), four equivalent Pd(2), and four equivalent Pd(3) atoms to form distorted PdMn4Pd8 cuboctahedra that share corners with four equivalent Mn(1)Pd12 cuboctahedra, corners with eight equivalent Pd(1)Mn4Pd8 cuboctahedra, edges with four equivalent Mn(1)Pd12 cuboctahedra, edges with four equivalent Pd(1)Mn4Pd8 cuboctahedra, edges with eight equivalent Pd(2)Mn4Pd8 cuboctahedra, edges with eight equivalent Pd(3)Mn4Pd8 cuboctahedra, faces with four equivalent Pd(2)Mn4Pd8 cuboctahedra, faces with four equivalent Pd(3)Mn4Pd8 cuboctahedra, faces with five equivalent Mn(1)Pd12 cuboctahedra, and faces with five equivalent Pd(1)Mn4Pd8 cuboctahedra. In the third Pd site, Pd(2) is bonded to four equivalent Mn(1), four equivalent Pd(1), and four equivalent Pd(2) atoms to form distorted PdMn4Pd8 cuboctahedra that share corners with four equivalent Pd(2)Mn4Pd8 cuboctahedra, corners with eight equivalent Pd(3)Mn4Pd8 cuboctahedra, edges with eight equivalent Mn(1)Pd12 cuboctahedra, edges with eight equivalent Pd(1)Mn4Pd8 cuboctahedra, edges with eight equivalent Pd(3)Mn4Pd8 cuboctahedra, faces with two equivalent Pd(3)Mn4Pd8 cuboctahedra, faces with four equivalent Mn(1)Pd12 cuboctahedra, faces with four equivalent Pd(1)Mn4Pd8 cuboctahedra, and faces with eight equivalent Pd(2)Mn4Pd8 cuboctahedra.
Pd3Mn is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Mn(1) is bonded to four equivalent Pd(1), four equivalent Pd(2), and four equivalent Pd(3) atoms to form MnPd12 cuboctahedra that share corners with four equivalent Pd(1)Mn4Pd8 cuboctahedra, corners with eight equivalent Mn(1)Pd12 cuboctahedra, edges with four equivalent Mn(1)Pd12 cuboctahedra, edges with four equivalent Pd(1)Mn4Pd8 cuboctahedra, edges with eight equivalent Pd(2)Mn4Pd8 cuboctahedra, edges with eight equivalent Pd(3)Mn4Pd8 cuboctahedra, faces with four equivalent Pd(2)Mn4Pd8 cuboctahedra, faces with four equivalent Pd(3)Mn4Pd8 cuboctahedra, faces with five equivalent Mn(1)Pd12 cuboctahedra, and faces with five equivalent Pd(1)Mn4Pd8 cuboctahedra. All Mn(1)-Pd(1) bond lengths are 2.77 Å. All Mn(1)-Pd(2) bond lengths are 2.75 Å. All Mn(1)-Pd(3) bond lengths are 2.78 Å. There are three inequivalent Pd sites. In the first Pd site, Pd(3) is bonded to four equivalent Mn(1), four equivalent Pd(1), and four equivalent Pd(3) atoms to form distorted PdMn4Pd8 cuboctahedra that share corners with four equivalent Pd(3)Mn4Pd8 cuboctahedra, corners with eight equivalent Pd(2)Mn4Pd8 cuboctahedra, edges with eight equivalent Mn(1)Pd12 cuboctahedra, edges with eight equivalent Pd(1)Mn4Pd8 cuboctahedra, edges with eight equivalent Pd(2)Mn4Pd8 cuboctahedra, faces with two equivalent Pd(2)Mn4Pd8 cuboctahedra, faces with four equivalent Mn(1)Pd12 cuboctahedra, faces with four equivalent Pd(1)Mn4Pd8 cuboctahedra, and faces with eight equivalent Pd(3)Mn4Pd8 cuboctahedra. All Pd(3)-Pd(1) bond lengths are 2.76 Å. All Pd(3)-Pd(3) bond lengths are 2.77 Å. In the second Pd site, Pd(1) is bonded to four equivalent Mn(1), four equivalent Pd(2), and four equivalent Pd(3) atoms to form distorted PdMn4Pd8 cuboctahedra that share corners with four equivalent Mn(1)Pd12 cuboctahedra, corners with eight equivalent Pd(1)Mn4Pd8 cuboctahedra, edges with four equivalent Mn(1)Pd12 cuboctahedra, edges with four equivalent Pd(1)Mn4Pd8 cuboctahedra, edges with eight equivalent Pd(2)Mn4Pd8 cuboctahedra, edges with eight equivalent Pd(3)Mn4Pd8 cuboctahedra, faces with four equivalent Pd(2)Mn4Pd8 cuboctahedra, faces with four equivalent Pd(3)Mn4Pd8 cuboctahedra, faces with five equivalent Mn(1)Pd12 cuboctahedra, and faces with five equivalent Pd(1)Mn4Pd8 cuboctahedra. All Pd(1)-Pd(2) bond lengths are 2.77 Å. In the third Pd site, Pd(2) is bonded to four equivalent Mn(1), four equivalent Pd(1), and four equivalent Pd(2) atoms to form distorted PdMn4Pd8 cuboctahedra that share corners with four equivalent Pd(2)Mn4Pd8 cuboctahedra, corners with eight equivalent Pd(3)Mn4Pd8 cuboctahedra, edges with eight equivalent Mn(1)Pd12 cuboctahedra, edges with eight equivalent Pd(1)Mn4Pd8 cuboctahedra, edges with eight equivalent Pd(3)Mn4Pd8 cuboctahedra, faces with two equivalent Pd(3)Mn4Pd8 cuboctahedra, faces with four equivalent Mn(1)Pd12 cuboctahedra, faces with four equivalent Pd(1)Mn4Pd8 cuboctahedra, and faces with eight equivalent Pd(2)Mn4Pd8 cuboctahedra. All Pd(2)-Pd(2) bond lengths are 2.77 Å.