Zr6FeGa2 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 Fe(1) and two equivalent Ga(1) atoms. In the second Zr site, Zr(2) is bonded in a 5-coordinate geometry to one Fe(1) and four equivalent Ga(1) atoms. Fe(1) is bonded in a 6-coordinate geometry to three equivalent Zr(2) and six equivalent Zr(1) atoms. Ga(1) is bonded in a 9-coordinate geometry to three equivalent Zr(1) and six equivalent Zr(2) atoms.
Zr6FeGa2 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 Fe(1) and two equivalent Ga(1) atoms. Both Zr(1)-Fe(1) bond lengths are 2.58 Å. Both Zr(1)-Ga(1) bond lengths are 3.00 Å. In the second Zr site, Zr(2) is bonded in a 5-coordinate geometry to one Fe(1) and four equivalent Ga(1) atoms. The Zr(2)-Fe(1) bond length is 3.16 Å. All Zr(2)-Ga(1) bond lengths are 2.92 Å. Fe(1) is bonded in a 6-coordinate geometry to three equivalent Zr(2) and six equivalent Zr(1) atoms. Ga(1) is bonded in a 9-coordinate geometry to three equivalent Zr(1) and six equivalent Zr(2) atoms.