Materials Data on PdPb3 by Materials Project
PdPb3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pd is bonded to twelve Pb atoms to form PdPb12 cuboctahedra that share corners with four equivalent PdPb12 cuboctahedra, corners with eight equivalent PbPd4Pb8 cuboctahedra, edges with eight equivalent PdPb12 cuboctahedra, edges with sixteen equivalent PbPd4Pb8 cuboctahedra, faces with four equivalent PdPb12 cuboctahedra, and faces with fourteen PbPd4Pb8 cuboctahedra. There are eight shorter (3.32 Å) and four longer (3.40 Å) Pd–Pb bond lengths. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded to four equivalent Pd and eight equivalent Pb atoms to form PbPd4Pb8 cuboctahedra that share corners with four equivalent PbPd4Pb8 cuboctahedra, corners with eight equivalent PdPb12 cuboctahedra, edges with twenty-four PbPd4Pb8 cuboctahedra, faces with six equivalent PdPb12 cuboctahedra, and faces with twelve PbPd4Pb8 cuboctahedra. All Pb–Pb bond lengths are 3.32 Å. In the second Pb site, Pb is bonded to four equivalent Pd and eight Pb atoms to form PbPd4Pb8 cuboctahedra that share corners with twelve equivalent PbPd4Pb8 cuboctahedra, edges with eight equivalent PdPb12 cuboctahedra, edges with sixteen PbPd4Pb8 cuboctahedra, faces with four equivalent PdPb12 cuboctahedra, and faces with fourteen PbPd4Pb8 cuboctahedra. All Pb–Pb bond lengths are 3.40 Å.