Nb5Ga3 crystallizes in the monoclinic C2/c space group. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 6-coordinate geometry to two equivalent Ga(2) and four equivalent Ga(1) atoms. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to two equivalent Nb(2) and four equivalent Ga(1) atoms. In the third Nb site, Nb(3) is bonded in a 6-coordinate geometry to two equivalent Ga(2) and four equivalent Ga(1) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a distorted q6 geometry to two equivalent Nb(2), four equivalent Nb(1), and four equivalent Nb(3) atoms. In the second Ga site, Ga(2) is bonded in a 10-coordinate geometry to four equivalent Nb(1), four equivalent Nb(3), and two equivalent Ga(2) atoms.
Nb5Ga3 crystallizes in the monoclinic C2/c space group. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 6-coordinate geometry to two equivalent Ga(2) and four equivalent Ga(1) atoms. Both Nb(1)-Ga(2) bond lengths are 2.73 Å. There are a spread of Nb(1)-Ga(1) bond distances ranging from 2.74-2.95 Å. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to two equivalent Nb(2) and four equivalent Ga(1) atoms. Both Nb(2)-Nb(2) bond lengths are 2.54 Å. There are two shorter (2.72 Å) and two longer (2.73 Å) Nb(2)-Ga(1) bond lengths. In the third Nb site, Nb(3) is bonded in a 6-coordinate geometry to two equivalent Ga(2) and four equivalent Ga(1) atoms. Both Nb(3)-Ga(2) bond lengths are 2.73 Å. There are a spread of Nb(3)-Ga(1) bond distances ranging from 2.74-2.95 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a distorted q6 geometry to two equivalent Nb(2), four equivalent Nb(1), and four equivalent Nb(3) atoms. In the second Ga site, Ga(2) is bonded in a 10-coordinate geometry to four equivalent Nb(1), four equivalent Nb(3), and two equivalent Ga(2) atoms. Both Ga(2)-Ga(2) bond lengths are 2.54 Å.