ZrCo3B2 crystallizes in the hexagonal P6/mmm space group. Zr(1) is bonded in a 20-coordinate geometry to two equivalent Zr(1), twelve equivalent Co(1), and six equivalent B(1) atoms. Co(1) is bonded in a distorted square co-planar geometry to four equivalent Zr(1) and four equivalent B(1) atoms. B(1) is bonded in a 6-coordinate geometry to three equivalent Zr(1) and six equivalent Co(1) atoms.
ZrCo3B2 crystallizes in the hexagonal P6/mmm space group. Zr(1) is bonded in a 20-coordinate geometry to two equivalent Zr(1), twelve equivalent Co(1), and six equivalent B(1) atoms. Both Zr(1)-Zr(1) bond lengths are 3.01 Å. All Zr(1)-Co(1) bond lengths are 2.85 Å. All Zr(1)-B(1) bond lengths are 2.79 Å. Co(1) is bonded in a distorted square co-planar geometry to four equivalent Zr(1) and four equivalent B(1) atoms. All Co(1)-B(1) bond lengths are 2.05 Å. B(1) is bonded in a 6-coordinate geometry to three equivalent Zr(1) and six equivalent Co(1) atoms.