Materials Data on Zn3Ag by Materials Project

Abstract

AgZn3 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 Zn atoms to form AgZn12 cuboctahedra that share corners with six equivalent AgZn12 cuboctahedra, corners with twelve equivalent ZnZn8Ag4 cuboctahedra, edges with eighteen equivalent ZnZn8Ag4 cuboctahedra, faces with eight equivalent AgZn12 cuboctahedra, and faces with twelve equivalent ZnZn8Ag4 cuboctahedra. There are six shorter (2.74 Å) and six longer (2.91 Å) Ag–Zn bond lengths. Zn is bonded to four equivalent Ag and eight equivalent Zn atoms to form distorted ZnZn8Ag4 cuboctahedra that share corners with four equivalent AgZn12 cuboctahedra, corners with fourteen equivalent ZnZn8Ag4 cuboctahedra, edges with six equivalent AgZn12 cuboctahedra, edges with twelve equivalent ZnZn8Ag4 cuboctahedra, faces with four equivalent AgZn12 cuboctahedra, and faces with sixteen equivalent ZnZn8Ag4 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.70–2.98 Å.