Materials Data on CuAg3 by Materials Project

Abstract

Ag3Cu is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ag is bonded to eight equivalent Ag and four equivalent Cu atoms to form AgCu4Ag8 cuboctahedra that share corners with four equivalent CuAg12 cuboctahedra, corners with fourteen equivalent AgCu4Ag8 cuboctahedra, edges with six equivalent CuAg12 cuboctahedra, edges with twelve equivalent AgCu4Ag8 cuboctahedra, faces with four equivalent CuAg12 cuboctahedra, and faces with sixteen equivalent AgCu4Ag8 cuboctahedra. There are a spread of Ag–Ag bond distances ranging from 2.83–2.92 Å. There are two shorter (2.84 Å) and two longer (2.87 Å) Ag–Cu bond lengths. Cu is bonded to twelve equivalent Ag atoms to form CuAg12 cuboctahedra that share corners with six equivalent CuAg12 cuboctahedra, corners with twelve equivalent AgCu4Ag8 cuboctahedra, edges with eighteen equivalent AgCu4Ag8 cuboctahedra, faces with eight equivalent CuAg12 cuboctahedra, and faces with twelve equivalent AgCu4Ag8 cuboctahedra.