Zr10(AlSb)3 crystallizes in the hexagonal P-62m space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 8-coordinate geometry to two equivalent Zr(1), three equivalent Al(1), and three equivalent Sb(1) atoms. In the second Zr site, Zr(2) is bonded in a 5-coordinate geometry to three equivalent Al(1) and two equivalent Sb(1) atoms. In the third Zr site, Zr(3) is bonded in a 5-coordinate geometry to two equivalent Al(1) and three equivalent Sb(1) atoms. Al(1) is bonded in a 9-coordinate geometry to two equivalent Zr(3), three equivalent Zr(2), and four equivalent Zr(1) atoms. Sb(1) is bonded in a 9-coordinate geometry to two equivalent Zr(2), three equivalent Zr(3), and four equivalent Zr(1) atoms.
Zr10(AlSb)3 crystallizes in the hexagonal P-62m space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 8-coordinate geometry to two equivalent Zr(1), three equivalent Al(1), and three equivalent Sb(1) atoms. There is one shorter (2.78 Å) and one longer (2.94 Å) Zr(1)-Zr(1) bond length. All Zr(1)-Al(1) bond lengths are 2.94 Å. All Zr(1)-Sb(1) bond lengths are 2.96 Å. In the second Zr site, Zr(2) is bonded in a 5-coordinate geometry to three equivalent Al(1) and two equivalent Sb(1) atoms. There are two shorter (2.86 Å) and one longer (3.02 Å) Zr(2)-Al(1) bond length. Both Zr(2)-Sb(1) bond lengths are 3.11 Å. In the third Zr site, Zr(3) is bonded in a 5-coordinate geometry to two equivalent Al(1) and three equivalent Sb(1) atoms. Both Zr(3)-Al(1) bond lengths are 3.10 Å. There are two shorter (2.90 Å) and one longer (3.00 Å) Zr(3)-Sb(1) bond length. Al(1) is bonded in a 9-coordinate geometry to two equivalent Zr(3), three equivalent Zr(2), and four equivalent Zr(1) atoms. Sb(1) is bonded in a 9-coordinate geometry to two equivalent Zr(2), three equivalent Zr(3), and four equivalent Zr(1) atoms.