Zn3Co is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Co(1) is bonded to four equivalent Zn(2) and eight equivalent Zn(1) atoms to form CoZn12 cuboctahedra that share corners with four equivalent Co(1)Zn12 cuboctahedra, corners with eight equivalent Zn(2)Zn8Co4 cuboctahedra, edges with eight equivalent Co(1)Zn12 cuboctahedra, edges with sixteen equivalent Zn(1)Zn8Co4 cuboctahedra, faces with four equivalent Co(1)Zn12 cuboctahedra, faces with six equivalent Zn(2)Zn8Co4 cuboctahedra, and faces with eight equivalent Zn(1)Zn8Co4 cuboctahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to four equivalent Co(1), four equivalent Zn(1), and four equivalent Zn(2) atoms to form ZnZn8Co4 cuboctahedra that share corners with twelve equivalent Zn(1)Zn8Co4 cuboctahedra, edges with eight equivalent Co(1)Zn12 cuboctahedra, edges with eight equivalent Zn(1)Zn8Co4 cuboctahedra, edges with eight equivalent Zn(2)Zn8Co4 cuboctahedra, faces with four equivalent Co(1)Zn12 cuboctahedra, faces with four equivalent Zn(2)Zn8Co4 cuboctahedra, and faces with ten equivalent Zn(1)Zn8Co4 cuboctahedra. In the second Zn site, Zn(2) is bonded to four equivalent Co(1) and eight equivalent Zn(1) atoms to form distorted ZnZn8Co4 cuboctahedra that share corners with four equivalent Zn(2)Zn8Co4 cuboctahedra, corners with eight equivalent Co(1)Zn12 cuboctahedra, edges with eight equivalent Zn(2)Zn8Co4 cuboctahedra, edges with sixteen equivalent Zn(1)Zn8Co4 cuboctahedra, faces with four equivalent Zn(2)Zn8Co4 cuboctahedra, faces with six equivalent Co(1)Zn12 cuboctahedra, and faces with eight equivalent Zn(1)Zn8Co4 cuboctahedra.
Zn3Co is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Co(1) is bonded to four equivalent Zn(2) and eight equivalent Zn(1) atoms to form CoZn12 cuboctahedra that share corners with four equivalent Co(1)Zn12 cuboctahedra, corners with eight equivalent Zn(2)Zn8Co4 cuboctahedra, edges with eight equivalent Co(1)Zn12 cuboctahedra, edges with sixteen equivalent Zn(1)Zn8Co4 cuboctahedra, faces with four equivalent Co(1)Zn12 cuboctahedra, faces with six equivalent Zn(2)Zn8Co4 cuboctahedra, and faces with eight equivalent Zn(1)Zn8Co4 cuboctahedra. All Co(1)-Zn(2) bond lengths are 2.54 Å. All Co(1)-Zn(1) bond lengths are 2.68 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to four equivalent Co(1), four equivalent Zn(1), and four equivalent Zn(2) atoms to form ZnZn8Co4 cuboctahedra that share corners with twelve equivalent Zn(1)Zn8Co4 cuboctahedra, edges with eight equivalent Co(1)Zn12 cuboctahedra, edges with eight equivalent Zn(1)Zn8Co4 cuboctahedra, edges with eight equivalent Zn(2)Zn8Co4 cuboctahedra, faces with four equivalent Co(1)Zn12 cuboctahedra, faces with four equivalent Zn(2)Zn8Co4 cuboctahedra, and faces with ten equivalent Zn(1)Zn8Co4 cuboctahedra. All Zn(1)-Zn(1) bond lengths are 2.54 Å. All Zn(1)-Zn(2) bond lengths are 2.68 Å. In the second Zn site, Zn(2) is bonded to four equivalent Co(1) and eight equivalent Zn(1) atoms to form distorted ZnZn8Co4 cuboctahedra that share corners with four equivalent Zn(2)Zn8Co4 cuboctahedra, corners with eight equivalent Co(1)Zn12 cuboctahedra, edges with eight equivalent Zn(2)Zn8Co4 cuboctahedra, edges with sixteen equivalent Zn(1)Zn8Co4 cuboctahedra, faces with four equivalent Zn(2)Zn8Co4 cuboctahedra, faces with six equivalent Co(1)Zn12 cuboctahedra, and faces with eight equivalent Zn(1)Zn8Co4 cuboctahedra.