Materials Data on CdAg3 by Materials Project

Abstract

Ag3Cd is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ag sites. In the first Ag site, Ag is bonded to eight Ag and four equivalent Cd atoms to form AgCd4Ag8 cuboctahedra that share corners with twelve equivalent AgCd4Ag8 cuboctahedra, edges with eight equivalent CdAg12 cuboctahedra, edges with sixteen AgCd4Ag8 cuboctahedra, faces with four equivalent CdAg12 cuboctahedra, and faces with fourteen AgCd4Ag8 cuboctahedra. There are four shorter (2.96 Å) and four longer (2.99 Å) Ag–Ag bond lengths. All Ag–Cd bond lengths are 2.99 Å. In the second Ag site, Ag is bonded to eight equivalent Ag and four equivalent Cd atoms to form AgCd4Ag8 cuboctahedra that share corners with four equivalent AgCd4Ag8 cuboctahedra, corners with eight equivalent CdAg12 cuboctahedra, edges with twenty-four AgCd4Ag8 cuboctahedra, faces with six equivalent CdAg12 cuboctahedra, and faces with twelve AgCd4Ag8 cuboctahedra. All Ag–Cd bond lengths are 2.96 Å. Cd is bonded to twelve Ag atoms to form CdAg12 cuboctahedra that share corners with four equivalent CdAg12 cuboctahedra, corners with eight equivalent AgCd4Ag8 cuboctahedra, edges with eight equivalent CdAg12 cuboctahedra, edges with sixteen equivalent AgCd4Ag8 cuboctahedra, faces with four equivalent CdAg12 cuboctahedra, and faces with fourteen AgCd4Ag8 cuboctahedra.