DOE OSTI2020
Sn2(PtPd)3 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are three inequivalent Pt sites. In the first Pt site, Pt is bonded to four equivalent Pt, four equivalent Pd, and four equivalent Sn atoms to form PtSn4Pd4Pt4 cuboctahedra that share corners with four equivalent PtSn4Pd4Pt4 cuboctahedra, corners with eight equivalent PdSn4Pd4Pt4 cuboctahedra, edges with eight equivalent PtSn4Pd8 cuboctahedra, edges with eight equivalent PdSn4Pd2Pt6 cuboctahedra, edges with eight equivalent SnPd6Pt6 cuboctahedra, faces with four equivalent SnPd6Pt6 cuboctahedra, faces with six PdSn4Pd2Pt6 cuboctahedra, and faces with eight PtSn4Pd4Pt4 cuboctahedra. All Pt–Pt bond lengths are 2.87 Å. All Pt–Pd bond lengths are 2.86 Å. All Pt–Sn bond lengths are 2.87 Å. In the second Pt site, Pt is bonded to eight Pd and four equivalent Sn atoms to form PtSn4Pd8 cuboctahedra that share corners with twelve PtSn4Pd8 cuboctahedra, edges with eight equivalent PtSn4Pd4Pt4 cuboctahedra, edges with eight equivalent PdSn4Pd2Pt6 cuboctahedra, edges with eight equivalent SnPd6Pt6 cuboctahedra, faces with four equivalent SnPd6Pt6 cuboctahedra, faces with six PtSn4Pd8 cuboctahedra, and faces with eight PdSn4Pd2Pt6 cuboctahedra. All Pt–Pd bond lengths are 2.87 Å. All Pt–Sn bond lengths are 2.85 Å. In the third Pt site, Pt is bonded to four equivalent Pt, four equivalent Pd, and four equivalent Sn atoms to form PtSn4Pd4Pt4 cuboctahedra that share corners with twelve PtSn4Pd8 cuboctahedra, edges with eight equivalent SnPd6Pt6 cuboctahedra, edges with sixteen PdSn4Pd2Pt6 cuboctahedra, faces with four equivalent PdSn4Pd2Pt6 cuboctahedra, faces with four equivalent SnPd6Pt6 cuboctahedra, and faces with ten PtSn4Pd4Pt4 cuboctahedra. All Pt–Pd bond lengths are 2.87 Å. All Pt–Sn bond lengths are 2.87 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to six Pt, two equivalent Pd, and four equivalent Sn atoms to form PdSn4Pd2Pt6 cuboctahedra that share corners with twelve equivalent PdSn4Pd2Pt6 cuboctahedra, edges with four equivalent PdSn4Pd4Pt4 cuboctahedra, edges with eight equivalent SnPd6Pt6 cuboctahedra, edges with twelve PtSn4Pd4Pt4 cuboctahedra, faces with four equivalent SnPd6Pt6 cuboctahedra, faces with six PtSn4Pd4Pt4 cuboctahedra, and faces with eight PdSn4Pd2Pt6 cuboctahedra. Both Pd–Pd bond lengths are 2.86 Å. All Pd–Sn bond lengths are 2.87 Å. In the second Pd site, Pd is bonded to four equivalent Pt, four equivalent Pd, and four equivalent Sn atoms to form PdSn4Pd4Pt4 cuboctahedra that share corners with four equivalent PdSn4Pd4Pt4 cuboctahedra, corners with eight equivalent PtSn4Pd4Pt4 cuboctahedra, edges with eight equivalent PtSn4Pd4Pt4 cuboctahedra, edges with eight equivalent PdSn4Pd2Pt6 cuboctahedra, edges with eight equivalent SnPd6Pt6 cuboctahedra, faces with four equivalent SnPd6Pt6 cuboctahedra, faces with six PtSn4Pd4Pt4 cuboctahedra, and faces with eight PdSn4Pd2Pt6 cuboctahedra. All Pd–Sn bond lengths are 2.86 Å. Sn is bonded to six Pt and six Pd atoms to form SnPd6Pt6 cuboctahedra that share corners with twelve equivalent SnPd6Pt6 cuboctahedra, edges with twelve PtSn4Pd4Pt4 cuboctahedra, edges with twelve PdSn4Pd2Pt6 cuboctahedra, faces with six PtSn4Pd4Pt4 cuboctahedra, faces with six PdSn4Pd2Pt6 cuboctahedra, and faces with six equivalent SnPd6Pt6 cuboctahedra.