Materials Data on CoPd3 by Materials Project

Abstract

Pd3Co is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Co is bonded to twelve equivalent Pd atoms to form CoPd12 cuboctahedra that share corners with six equivalent CoPd12 cuboctahedra, corners with twelve equivalent PdCo4Pd8 cuboctahedra, edges with eighteen equivalent PdCo4Pd8 cuboctahedra, faces with eight equivalent CoPd12 cuboctahedra, and faces with twelve equivalent PdCo4Pd8 cuboctahedra. There are six shorter (2.72 Å) and six longer (2.75 Å) Co–Pd bond lengths. Pd is bonded to four equivalent Co and eight equivalent Pd atoms to form distorted PdCo4Pd8 cuboctahedra that share corners with four equivalent CoPd12 cuboctahedra, corners with fourteen equivalent PdCo4Pd8 cuboctahedra, edges with six equivalent CoPd12 cuboctahedra, edges with twelve equivalent PdCo4Pd8 cuboctahedra, faces with four equivalent CoPd12 cuboctahedra, and faces with sixteen equivalent PdCo4Pd8 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.70–2.80 Å.