MgPd3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Mg(1) is bonded to four equivalent Pd(1) and eight equivalent Pd(2) atoms to form MgPd12 cuboctahedra that share corners with four equivalent Mg(1)Pd12 cuboctahedra, corners with eight equivalent Pd(1)Mg4Pd8 cuboctahedra, corners with sixteen equivalent Pd(2)Mg4Pd4 cuboctahedra, edges with eight equivalent Mg(1)Pd12 cuboctahedra, edges with eight equivalent Pd(2)Mg4Pd4 cuboctahedra, faces with four equivalent Mg(1)Pd12 cuboctahedra, and faces with six equivalent Pd(1)Mg4Pd8 cuboctahedra. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to four equivalent Mg(1) and eight equivalent Pd(2) atoms to form distorted PdMg4Pd8 cuboctahedra that share corners with four equivalent Pd(1)Mg4Pd8 cuboctahedra, corners with eight equivalent Mg(1)Pd12 cuboctahedra, corners with sixteen equivalent Pd(2)Mg4Pd4 cuboctahedra, edges with eight equivalent Pd(2)Mg4Pd4 cuboctahedra, edges with eight equivalent Pd(1)Mg4Pd8 cuboctahedra, faces with four equivalent Pd(1)Mg4Pd8 cuboctahedra, and faces with six equivalent Mg(1)Pd12 cuboctahedra. In the second Pd site, Pd(2) is bonded to four equivalent Mg(1) and four equivalent Pd(1) atoms to form distorted PdMg4Pd4 cuboctahedra that share corners with eight equivalent Mg(1)Pd12 cuboctahedra, corners with eight equivalent Pd(2)Mg4Pd4 cuboctahedra, corners with eight equivalent Pd(1)Mg4Pd8 cuboctahedra, edges with four equivalent Mg(1)Pd12 cuboctahedra, edges with four equivalent Pd(1)Mg4Pd8 cuboctahedra, edges with twelve equivalent Pd(2)Mg4Pd4 cuboctahedra, and faces with six equivalent Pd(2)Mg4Pd4 cuboctahedra.
MgPd3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Mg(1) is bonded to four equivalent Pd(1) and eight equivalent Pd(2) atoms to form MgPd12 cuboctahedra that share corners with four equivalent Mg(1)Pd12 cuboctahedra, corners with eight equivalent Pd(1)Mg4Pd8 cuboctahedra, corners with sixteen equivalent Pd(2)Mg4Pd4 cuboctahedra, edges with eight equivalent Mg(1)Pd12 cuboctahedra, edges with eight equivalent Pd(2)Mg4Pd4 cuboctahedra, faces with four equivalent Mg(1)Pd12 cuboctahedra, and faces with six equivalent Pd(1)Mg4Pd8 cuboctahedra. All Mg(1)-Pd(1) bond lengths are 2.81 Å. All Mg(1)-Pd(2) bond lengths are 2.77 Å. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to four equivalent Mg(1) and eight equivalent Pd(2) atoms to form distorted PdMg4Pd8 cuboctahedra that share corners with four equivalent Pd(1)Mg4Pd8 cuboctahedra, corners with eight equivalent Mg(1)Pd12 cuboctahedra, corners with sixteen equivalent Pd(2)Mg4Pd4 cuboctahedra, edges with eight equivalent Pd(2)Mg4Pd4 cuboctahedra, edges with eight equivalent Pd(1)Mg4Pd8 cuboctahedra, faces with four equivalent Pd(1)Mg4Pd8 cuboctahedra, and faces with six equivalent Mg(1)Pd12 cuboctahedra. All Pd(1)-Pd(2) bond lengths are 2.77 Å. In the second Pd site, Pd(2) is bonded to four equivalent Mg(1) and four equivalent Pd(1) atoms to form distorted PdMg4Pd4 cuboctahedra that share corners with eight equivalent Mg(1)Pd12 cuboctahedra, corners with eight equivalent Pd(2)Mg4Pd4 cuboctahedra, corners with eight equivalent Pd(1)Mg4Pd8 cuboctahedra, edges with four equivalent Mg(1)Pd12 cuboctahedra, edges with four equivalent Pd(1)Mg4Pd8 cuboctahedra, edges with twelve equivalent Pd(2)Mg4Pd4 cuboctahedra, and faces with six equivalent Pd(2)Mg4Pd4 cuboctahedra.