Zr2CrCo3 crystallizes in the trigonal R-3m space group. Zr(1) is bonded in a 16-coordinate geometry to four equivalent Zr(1), three equivalent Cr(1), and nine equivalent Co(1) atoms. Cr(1) is bonded to six equivalent Zr(1) and six equivalent Co(1) atoms to form CrZr6Co6 cuboctahedra that share corners with six equivalent Cr(1)Zr6Co6 cuboctahedra, corners with twelve equivalent Co(1)Zr6Cr2Co4 cuboctahedra, edges with six equivalent Cr(1)Zr6Co6 cuboctahedra, and faces with eighteen equivalent Co(1)Zr6Cr2Co4 cuboctahedra. Co(1) is bonded to six equivalent Zr(1), two equivalent Cr(1), and four equivalent Co(1) atoms to form CoZr6Cr2Co4 cuboctahedra that share corners with four equivalent Cr(1)Zr6Co6 cuboctahedra, corners with fourteen equivalent Co(1)Zr6Cr2Co4 cuboctahedra, edges with six equivalent Co(1)Zr6Cr2Co4 cuboctahedra, faces with six equivalent Cr(1)Zr6Co6 cuboctahedra, and faces with twelve equivalent Co(1)Zr6Cr2Co4 cuboctahedra.
Zr2CrCo3 crystallizes in the trigonal R-3m space group. Zr(1) is bonded in a 16-coordinate geometry to four equivalent Zr(1), three equivalent Cr(1), and nine equivalent Co(1) atoms. There are three shorter (3.04 Å) and one longer (3.05 Å) Zr(1)-Zr(1) bond length. All Zr(1)-Cr(1) bond lengths are 2.92 Å. There are three shorter (2.90 Å) and six longer (2.92 Å) Zr(1)-Co(1) bond lengths. Cr(1) is bonded to six equivalent Zr(1) and six equivalent Co(1) atoms to form CrZr6Co6 cuboctahedra that share corners with six equivalent Cr(1)Zr6Co6 cuboctahedra, corners with twelve equivalent Co(1)Zr6Cr2Co4 cuboctahedra, edges with six equivalent Cr(1)Zr6Co6 cuboctahedra, and faces with eighteen equivalent Co(1)Zr6Cr2Co4 cuboctahedra. All Cr(1)-Co(1) bond lengths are 2.48 Å. Co(1) is bonded to six equivalent Zr(1), two equivalent Cr(1), and four equivalent Co(1) atoms to form CoZr6Cr2Co4 cuboctahedra that share corners with four equivalent Cr(1)Zr6Co6 cuboctahedra, corners with fourteen equivalent Co(1)Zr6Cr2Co4 cuboctahedra, edges with six equivalent Co(1)Zr6Cr2Co4 cuboctahedra, faces with six equivalent Cr(1)Zr6Co6 cuboctahedra, and faces with twelve equivalent Co(1)Zr6Cr2Co4 cuboctahedra. All Co(1)-Co(1) bond lengths are 2.49 Å.