Zr5Ga3 crystallizes in the hexagonal P6_3/mcm 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 Ga(1) atoms. In the second Zr site, Zr(2) is bonded in a 5-coordinate geometry to five equivalent Ga(1) atoms. Ga(1) is bonded in a 9-coordinate geometry to four equivalent Zr(1) and five equivalent Zr(2) atoms.
Zr5Ga3 crystallizes in the hexagonal P6_3/mcm 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 Ga(1) atoms. All Zr(1)-Ga(1) bond lengths are 2.88 Å. In the second Zr site, Zr(2) is bonded in a 5-coordinate geometry to five equivalent Ga(1) atoms. There are a spread of Zr(2)-Ga(1) bond distances ranging from 2.78-3.13 Å. Ga(1) is bonded in a 9-coordinate geometry to four equivalent Zr(1) and five equivalent Zr(2) atoms.