Materials Data on Zn3Co by Materials Project

Abstract

Zn3Co is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Co is bonded to twelve equivalent Zn atoms to form CoZn12 cuboctahedra that share corners with six equivalent CoZn12 cuboctahedra, corners with twelve equivalent ZnZn8Co4 cuboctahedra, edges with eighteen equivalent ZnZn8Co4 cuboctahedra, faces with eight equivalent CoZn12 cuboctahedra, and faces with twelve equivalent ZnZn8Co4 cuboctahedra. There are six shorter (2.61 Å) and six longer (2.66 Å) Co–Zn bond lengths. Zn is bonded to four equivalent Co and eight equivalent Zn atoms to form distorted ZnZn8Co4 cuboctahedra that share corners with four equivalent CoZn12 cuboctahedra, corners with fourteen equivalent ZnZn8Co4 cuboctahedra, edges with six equivalent CoZn12 cuboctahedra, edges with twelve equivalent ZnZn8Co4 cuboctahedra, faces with four equivalent CoZn12 cuboctahedra, and faces with sixteen equivalent ZnZn8Co4 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.59–2.73 Å.