Materials Data on Ag3Pd by Materials Project

Abstract

PdAg3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pd is bonded to twelve equivalent Ag atoms to form PdAg12 cuboctahedra that share corners with six equivalent PdAg12 cuboctahedra, corners with twelve equivalent AgAg8Pd4 cuboctahedra, edges with eighteen equivalent AgAg8Pd4 cuboctahedra, faces with eight equivalent PdAg12 cuboctahedra, and faces with twelve equivalent AgAg8Pd4 cuboctahedra. There are six shorter (2.89 Å) and six longer (2.90 Å) Pd–Ag bond lengths. Ag is bonded to four equivalent Pd and eight equivalent Ag atoms to form AgAg8Pd4 cuboctahedra that share corners with four equivalent PdAg12 cuboctahedra, corners with fourteen equivalent AgAg8Pd4 cuboctahedra, edges with six equivalent PdAg12 cuboctahedra, edges with twelve equivalent AgAg8Pd4 cuboctahedra, faces with four equivalent PdAg12 cuboctahedra, and faces with sixteen equivalent AgAg8Pd4 cuboctahedra. There are a spread of Ag–Ag bond distances ranging from 2.87–2.92 Å.