Zr6CuBi2 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 5-coordinate geometry to one Cu(1) and four equivalent Bi(1) atoms. In the second Zr site, Zr(2) is bonded in a 4-coordinate geometry to two equivalent Cu(1) and two equivalent Bi(1) atoms. Cu(1) is bonded in a 9-coordinate geometry to three equivalent Zr(1) and six equivalent Zr(2) atoms. Bi(1) is bonded in a 9-coordinate geometry to three equivalent Zr(2) and six equivalent Zr(1) atoms.
Zr6CuBi2 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 5-coordinate geometry to one Cu(1) and four equivalent Bi(1) atoms. The Zr(1)-Cu(1) bond length is 3.09 Å. All Zr(1)-Bi(1) bond lengths are 3.07 Å. In the second Zr site, Zr(2) is bonded in a 4-coordinate geometry to two equivalent Cu(1) and two equivalent Bi(1) atoms. Both Zr(2)-Cu(1) bond lengths are 2.66 Å. Both Zr(2)-Bi(1) bond lengths are 3.06 Å. Cu(1) is bonded in a 9-coordinate geometry to three equivalent Zr(1) and six equivalent Zr(2) atoms. Bi(1) is bonded in a 9-coordinate geometry to three equivalent Zr(2) and six equivalent Zr(1) atoms.