ZrAuGa crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 6-coordinate geometry to six equivalent Au(1) and six equivalent Ga(1) atoms. In the second Zr site, Zr(2) is bonded in a 12-coordinate geometry to six equivalent Au(1) and six equivalent Ga(1) atoms. Au(1) is bonded in a 10-coordinate geometry to three equivalent Zr(1), three equivalent Zr(2), one Au(1), and three equivalent Ga(1) atoms. Ga(1) is bonded in a 10-coordinate geometry to three equivalent Zr(1), three equivalent Zr(2), three equivalent Au(1), and one Ga(1) atom.
ZrAuGa crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 6-coordinate geometry to six equivalent Au(1) and six equivalent Ga(1) atoms. All Zr(1)-Au(1) bond lengths are 2.89 Å. All Zr(1)-Ga(1) bond lengths are 3.18 Å. In the second Zr site, Zr(2) is bonded in a 12-coordinate geometry to six equivalent Au(1) and six equivalent Ga(1) atoms. All Zr(2)-Au(1) bond lengths are 3.19 Å. All Zr(2)-Ga(1) bond lengths are 2.89 Å. Au(1) is bonded in a 10-coordinate geometry to three equivalent Zr(1), three equivalent Zr(2), one Au(1), and three equivalent Ga(1) atoms. The Au(1)-Au(1) bond length is 2.88 Å. All Au(1)-Ga(1) bond lengths are 2.56 Å. Ga(1) is bonded in a 10-coordinate geometry to three equivalent Zr(1), three equivalent Zr(2), three equivalent Au(1), and one Ga(1) atom. The Ga(1)-Ga(1) bond length is 2.88 Å.