Materials Data on IrPd3 by Materials Project
Pd3Ir is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ir is bonded to twelve Pd atoms to form IrPd12 cuboctahedra that share corners with four equivalent IrPd12 cuboctahedra, corners with eight equivalent PdIr4Pd8 cuboctahedra, edges with eight equivalent IrPd12 cuboctahedra, edges with sixteen equivalent PdIr4Pd8 cuboctahedra, faces with four equivalent IrPd12 cuboctahedra, and faces with fourteen PdIr4Pd8 cuboctahedra. There are eight shorter (2.77 Å) and four longer (2.79 Å) Ir–Pd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to four equivalent Ir and eight Pd atoms to form PdIr4Pd8 cuboctahedra that share corners with twelve equivalent PdIr4Pd8 cuboctahedra, edges with eight equivalent IrPd12 cuboctahedra, edges with sixteen PdIr4Pd8 cuboctahedra, faces with four equivalent IrPd12 cuboctahedra, and faces with fourteen PdIr4Pd8 cuboctahedra. There are four shorter (2.77 Å) and four longer (2.79 Å) Pd–Pd bond lengths. In the second Pd site, Pd is bonded to four equivalent Ir and eight equivalent Pd atoms to form PdIr4Pd8 cuboctahedra that share corners with four equivalent PdIr4Pd8 cuboctahedra, corners with eight equivalent IrPd12 cuboctahedra, edges with twenty-four PdIr4Pd8 cuboctahedra, faces with six equivalent IrPd12 cuboctahedra, and faces with twelve PdIr4Pd8 cuboctahedra.