Materials Data on FeAg3 by Materials Project

Abstract

FeAg3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Fe is bonded to twelve equivalent Ag atoms to form FeAg12 cuboctahedra that share corners with six equivalent FeAg12 cuboctahedra, corners with twelve equivalent AgFe4Ag8 cuboctahedra, edges with eighteen equivalent AgFe4Ag8 cuboctahedra, faces with eight equivalent FeAg12 cuboctahedra, and faces with twelve equivalent AgFe4Ag8 cuboctahedra. There are six shorter (2.84 Å) and six longer (2.89 Å) Fe–Ag bond lengths. Ag is bonded to four equivalent Fe and eight equivalent Ag atoms to form AgFe4Ag8 cuboctahedra that share corners with four equivalent FeAg12 cuboctahedra, corners with fourteen equivalent AgFe4Ag8 cuboctahedra, edges with six equivalent FeAg12 cuboctahedra, edges with twelve equivalent AgFe4Ag8 cuboctahedra, faces with four equivalent FeAg12 cuboctahedra, and faces with sixteen equivalent AgFe4Ag8 cuboctahedra. There are a spread of Ag–Ag bond distances ranging from 2.84–2.94 Å.