Materials Data on Ga3Ag by Materials Project

Abstract

AgGa3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ag is bonded to twelve equivalent Ga atoms to form AgGa12 cuboctahedra that share corners with six equivalent AgGa12 cuboctahedra, corners with twelve equivalent GaGa8Ag4 cuboctahedra, edges with eighteen equivalent GaGa8Ag4 cuboctahedra, faces with eight equivalent AgGa12 cuboctahedra, and faces with twelve equivalent GaGa8Ag4 cuboctahedra. There are six shorter (2.91 Å) and six longer (3.07 Å) Ag–Ga bond lengths. Ga is bonded to four equivalent Ag and eight equivalent Ga atoms to form distorted GaGa8Ag4 cuboctahedra that share corners with four equivalent AgGa12 cuboctahedra, corners with fourteen equivalent GaGa8Ag4 cuboctahedra, edges with six equivalent AgGa12 cuboctahedra, edges with twelve equivalent GaGa8Ag4 cuboctahedra, faces with four equivalent AgGa12 cuboctahedra, and faces with sixteen equivalent GaGa8Ag4 cuboctahedra. There are a spread of Ga–Ga bond distances ranging from 2.90–3.07 Å.