Zr3Co is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Zr(1) is bonded to eight equivalent Zr(1) and four equivalent Co(1) atoms to form distorted ZrZr8Co4 cuboctahedra that share corners with four equivalent Co(1)Zr12 cuboctahedra, corners with fourteen equivalent Zr(1)Zr8Co4 cuboctahedra, edges with six equivalent Co(1)Zr12 cuboctahedra, edges with twelve equivalent Zr(1)Zr8Co4 cuboctahedra, faces with four equivalent Co(1)Zr12 cuboctahedra, and faces with sixteen equivalent Zr(1)Zr8Co4 cuboctahedra. Co(1) is bonded to twelve equivalent Zr(1) atoms to form CoZr12 cuboctahedra that share corners with six equivalent Co(1)Zr12 cuboctahedra, corners with twelve equivalent Zr(1)Zr8Co4 cuboctahedra, edges with eighteen equivalent Zr(1)Zr8Co4 cuboctahedra, faces with eight equivalent Co(1)Zr12 cuboctahedra, and faces with twelve equivalent Zr(1)Zr8Co4 cuboctahedra.
Zr3Co is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Zr(1) is bonded to eight equivalent Zr(1) and four equivalent Co(1) atoms to form distorted ZrZr8Co4 cuboctahedra that share corners with four equivalent Co(1)Zr12 cuboctahedra, corners with fourteen equivalent Zr(1)Zr8Co4 cuboctahedra, edges with six equivalent Co(1)Zr12 cuboctahedra, edges with twelve equivalent Zr(1)Zr8Co4 cuboctahedra, faces with four equivalent Co(1)Zr12 cuboctahedra, and faces with sixteen equivalent Zr(1)Zr8Co4 cuboctahedra. There are a spread of Zr(1)-Zr(1) bond distances ranging from 2.87-3.19 Å. There are two shorter (2.95 Å) and two longer (3.03 Å) Zr(1)-Co(1) bond lengths. Co(1) is bonded to twelve equivalent Zr(1) atoms to form CoZr12 cuboctahedra that share corners with six equivalent Co(1)Zr12 cuboctahedra, corners with twelve equivalent Zr(1)Zr8Co4 cuboctahedra, edges with eighteen equivalent Zr(1)Zr8Co4 cuboctahedra, faces with eight equivalent Co(1)Zr12 cuboctahedra, and faces with twelve equivalent Zr(1)Zr8Co4 cuboctahedra.