Nb5Ga3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 8-coordinate geometry to two equivalent Nb(1) and six equivalent Ga(1) atoms. In the second Nb site, Nb(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 Nb(1) and five equivalent Nb(2) atoms.
Nb5Ga3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 8-coordinate geometry to two equivalent Nb(1) and six equivalent Ga(1) atoms. Both Nb(1)-Nb(1) bond lengths are 2.65 Å. All Nb(1)-Ga(1) bond lengths are 2.74 Å. In the second Nb site, Nb(2) is bonded in a 5-coordinate geometry to five equivalent Ga(1) atoms. There are a spread of Nb(2)-Ga(1) bond distances ranging from 2.69-2.90 Å. Ga(1) is bonded in a 9-coordinate geometry to four equivalent Nb(1) and five equivalent Nb(2) atoms.