Nb5Ga3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 6-coordinate geometry to two equivalent Nb(1) and four equivalent Ga(2) atoms. In the second Nb site, Nb(2) is bonded in a 5-coordinate geometry to one Ga(1) and four equivalent Ga(2) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent Nb(2) and two equivalent Ga(1) atoms to form corner-sharing GaNb4Ga2 octahedra. The corner-sharing octahedra are not tilted. In the second Ga site, Ga(2) is bonded in a distorted q6 geometry to two equivalent Nb(1) and eight equivalent Nb(2) atoms.
Nb5Ga3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 6-coordinate geometry to two equivalent Nb(1) and four equivalent Ga(2) atoms. Both Nb(1)-Nb(1) bond lengths are 2.53 Å. All Nb(1)-Ga(2) bond lengths are 2.78 Å. In the second Nb site, Nb(2) is bonded in a 5-coordinate geometry to one Ga(1) and four equivalent Ga(2) atoms. The Nb(2)-Ga(1) bond length is 2.60 Å. There are a spread of Nb(2)-Ga(2) bond distances ranging from 2.79-2.90 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent Nb(2) and two equivalent Ga(1) atoms to form corner-sharing GaNb4Ga2 octahedra. The corner-sharing octahedra are not tilted. Both Ga(1)-Ga(1) bond lengths are 2.53 Å. In the second Ga site, Ga(2) is bonded in a distorted q6 geometry to two equivalent Nb(1) and eight equivalent Nb(2) atoms.