Materials Data on Zn3Co by Materials Project
Zn3Co is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Co is bonded to twelve Zn atoms to form CoZn12 cuboctahedra that share corners with four equivalent CoZn12 cuboctahedra, corners with eight equivalent ZnZn8Co4 cuboctahedra, edges with eight equivalent CoZn12 cuboctahedra, edges with sixteen equivalent ZnZn8Co4 cuboctahedra, faces with four equivalent CoZn12 cuboctahedra, and faces with fourteen ZnZn8Co4 cuboctahedra. There are four shorter (2.57 Å) and eight longer (2.69 Å) Co–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Co and eight Zn atoms to form ZnZn8Co4 cuboctahedra that share corners with twelve equivalent ZnZn8Co4 cuboctahedra, edges with eight equivalent CoZn12 cuboctahedra, edges with sixteen ZnZn8Co4 cuboctahedra, faces with four equivalent CoZn12 cuboctahedra, and faces with fourteen ZnZn8Co4 cuboctahedra. There are four shorter (2.57 Å) and four longer (2.69 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded to four equivalent Co and eight equivalent Zn atoms to form distorted ZnZn8Co4 cuboctahedra that share corners with four equivalent ZnZn8Co4 cuboctahedra, corners with eight equivalent CoZn12 cuboctahedra, edges with twenty-four ZnZn8Co4 cuboctahedra, faces with six equivalent CoZn12 cuboctahedra, and faces with twelve ZnZn8Co4 cuboctahedra.