Materials Data on ZnCo2 by Materials Project

Abstract

Zn1Co2 is beta-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Co is bonded to nine equivalent Co and three equivalent Zn atoms to form CoZn3Co9 cuboctahedra that share corners with three equivalent ZnZn6Co6 cuboctahedra, corners with nine equivalent CoZn3Co9 cuboctahedra, edges with nine equivalent ZnZn6Co6 cuboctahedra, edges with fifteen equivalent CoZn3Co9 cuboctahedra, faces with six equivalent ZnZn6Co6 cuboctahedra, and faces with twelve equivalent CoZn3Co9 cuboctahedra. There are three shorter (2.41 Å) and six longer (2.57 Å) Co–Co bond lengths. All Co–Zn bond lengths are 2.61 Å. Zn is bonded to six equivalent Co and six equivalent Zn atoms to form ZnZn6Co6 cuboctahedra that share corners with six equivalent CoZn3Co9 cuboctahedra, corners with six equivalent ZnZn6Co6 cuboctahedra, edges with six equivalent ZnZn6Co6 cuboctahedra, edges with eighteen equivalent CoZn3Co9 cuboctahedra, faces with six equivalent ZnZn6Co6 cuboctahedra, and faces with twelve equivalent CoZn3Co9 cuboctahedra. All Zn–Zn bond lengths are 2.57 Å.