Zr6NiTe2 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 Ni(1) and two equivalent Te(1) atoms. In the second Zr site, Zr(2) is bonded in a 5-coordinate geometry to one Ni(1) and four equivalent Te(1) atoms. Ni(1) is bonded in a 9-coordinate geometry to three equivalent Zr(2) and six equivalent Zr(1) atoms. Te(1) is bonded in a 9-coordinate geometry to three equivalent Zr(1) and six equivalent Zr(2) atoms.
Zr6NiTe2 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 Ni(1) and two equivalent Te(1) atoms. Both Zr(1)-Ni(1) bond lengths are 2.61 Å. Both Zr(1)-Te(1) bond lengths are 3.01 Å. In the second Zr site, Zr(2) is bonded in a 5-coordinate geometry to one Ni(1) and four equivalent Te(1) atoms. The Zr(2)-Ni(1) bond length is 3.14 Å. All Zr(2)-Te(1) bond lengths are 2.99 Å. Ni(1) is bonded in a 9-coordinate geometry to three equivalent Zr(2) and six equivalent Zr(1) atoms. Te(1) is bonded in a 9-coordinate geometry to three equivalent Zr(1) and six equivalent Zr(2) atoms.