Zr6CoAs2 crystallizes in the hexagonal P-62m space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 4-coordinate geometry to two equivalent Co(1) and two equivalent As(1) atoms. In the second Zr site, Zr(2) is bonded in a 4-coordinate geometry to one Co(1) and four equivalent As(1) atoms. Co(1) is bonded in a 9-coordinate geometry to three equivalent Zr(2) and six equivalent Zr(1) atoms. As(1) is bonded in a 9-coordinate geometry to three equivalent Zr(1) and six equivalent Zr(2) atoms.
Zr6CoAs2 crystallizes in the hexagonal P-62m space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 4-coordinate geometry to two equivalent Co(1) and two equivalent As(1) atoms. Both Zr(1)-Co(1) bond lengths are 2.57 Å. Both Zr(1)-As(1) bond lengths are 2.89 Å. In the second Zr site, Zr(2) is bonded in a 4-coordinate geometry to one Co(1) and four equivalent As(1) atoms. The Zr(2)-Co(1) bond length is 3.11 Å. All Zr(2)-As(1) bond lengths are 2.88 Å. Co(1) is bonded in a 9-coordinate geometry to three equivalent Zr(2) and six equivalent Zr(1) atoms. As(1) is bonded in a 9-coordinate geometry to three equivalent Zr(1) and six equivalent Zr(2) atoms.