Nb5Ga13 crystallizes in the orthorhombic Cmmm space group. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to two equivalent Ga(1), two equivalent Ga(2), two equivalent Ga(5), two equivalent Ga(6), and four equivalent Ga(7) atoms to form NbGa12 cuboctahedra that share corners with four equivalent Nb(1)Ga12 cuboctahedra, edges with four equivalent Nb(3)Ga12 cuboctahedra, edges with four equivalent Ga(1)Nb4Ga8 cuboctahedra, edges with four equivalent Ga(5)Nb4Ga8 cuboctahedra, faces with two equivalent Ga(1)Nb4Ga8 cuboctahedra, faces with two equivalent Ga(5)Nb4Ga8 cuboctahedra, and faces with four equivalent Nb(1)Ga12 cuboctahedra. In the second Nb site, Nb(2) is bonded in a 10-coordinate geometry to two equivalent Ga(2), two equivalent Ga(6), and six equivalent Ga(3) atoms. In the third Nb site, Nb(3) is bonded to four equivalent Ga(1), four equivalent Ga(4), and four equivalent Ga(5) atoms to form NbGa12 cuboctahedra that share corners with four equivalent Nb(3)Ga12 cuboctahedra, edges with eight equivalent Nb(1)Ga12 cuboctahedra, edges with eight equivalent Ga(1)Nb4Ga8 cuboctahedra, edges with eight equivalent Ga(5)Nb4Ga8 cuboctahedra, faces with four equivalent Nb(3)Ga12 cuboctahedra, faces with four equivalent Ga(1)Nb4Ga8 cuboctahedra, and faces with four equivalent Ga(5)Nb4Ga8 cuboctahedra. There are seven inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to two equivalent Nb(1), two equivalent Nb(3), two equivalent Ga(4), two equivalent Ga(7), and four equivalent Ga(5) atoms to form distorted GaNb4Ga8 cuboctahedra that share corners with eight equivalent Ga(1)Nb4Ga8 cuboctahedra, edges with four equivalent Nb(1)Ga12 cuboctahedra, edges with four equivalent Nb(3)Ga12 cuboctahedra, edges with four equivalent Ga(5)Nb4Ga8 cuboctahedra, faces with two equivalent Nb(1)Ga12 cuboctahedra, faces with two equivalent Nb(3)Ga12 cuboctahedra, faces with four equivalent Ga(5)Nb4Ga8 cuboctahedra, and faces with five equivalent Ga(1)Nb4Ga8 cuboctahedra. In the second Ga site, Ga(2) is bonded in a 10-coordinate geometry to two equivalent Nb(1), two equivalent Nb(2), two equivalent Ga(7), and four equivalent Ga(6) atoms. In the third Ga site, Ga(3) is bonded in a 8-coordinate geometry to six equivalent Nb(2) and two equivalent Ga(3) atoms. In the fourth Ga site, Ga(4) is bonded in a distorted square co-planar geometry to four equivalent Nb(3), four equivalent Ga(1), and four equivalent Ga(5) atoms. In the fifth Ga site, Ga(5) is bonded to two equivalent Nb(1), two equivalent Nb(3), two equivalent Ga(4), two equivalent Ga(7), and four equivalent Ga(1) atoms to form distorted GaNb4Ga8 cuboctahedra that share corners with eight equivalent Ga(5)Nb4Ga8 cuboctahedra, edges with four equivalent Nb(1)Ga12 cuboctahedra, edges with four equivalent Nb(3)Ga12 cuboctahedra, edges with four equivalent Ga(1)Nb4Ga8 cuboctahedra, faces with two equivalent Nb(1)Ga12 cuboctahedra, faces with two equivalent Nb(3)Ga12 cuboctahedra, faces with four equivalent Ga(1)Nb4Ga8 cuboctahedra, and faces with five equivalent Ga(5)Nb4Ga8 cuboctahedra. In the sixth Ga site, Ga(6) is bonded in a 10-coordinate geometry to two equivalent Nb(1), two equivalent Nb(2), two equivalent Ga(7), and four equivalent Ga(2) atoms. In the seventh Ga site, Ga(7) is bonded in a distorted rectangular see-saw-like geometry to four equivalent Nb(1), two equivalent Ga(1), two equivalent Ga(2), two equivalent Ga(5), and two equivalent Ga(6) atoms.
Nb5Ga13 crystallizes in the orthorhombic Cmmm space group. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to two equivalent Ga(1), two equivalent Ga(2), two equivalent Ga(5), two equivalent Ga(6), and four equivalent Ga(7) atoms to form NbGa12 cuboctahedra that share corners with four equivalent Nb(1)Ga12 cuboctahedra, edges with four equivalent Nb(3)Ga12 cuboctahedra, edges with four equivalent Ga(1)Nb4Ga8 cuboctahedra, edges with four equivalent Ga(5)Nb4Ga8 cuboctahedra, faces with two equivalent Ga(1)Nb4Ga8 cuboctahedra, faces with two equivalent Ga(5)Nb4Ga8 cuboctahedra, and faces with four equivalent Nb(1)Ga12 cuboctahedra. Both Nb(1)-Ga(1) bond lengths are 2.86 Å. Both Nb(1)-Ga(2) bond lengths are 2.94 Å. Both Nb(1)-Ga(5) bond lengths are 2.86 Å. Both Nb(1)-Ga(6) bond lengths are 2.94 Å. All Nb(1)-Ga(7) bond lengths are 2.66 Å. In the second Nb site, Nb(2) is bonded in a 10-coordinate geometry to two equivalent Ga(2), two equivalent Ga(6), and six equivalent Ga(3) atoms. Both Nb(2)-Ga(2) bond lengths are 2.81 Å. Both Nb(2)-Ga(6) bond lengths are 2.80 Å. There are four shorter (2.70 Å) and two longer (2.92 Å) Nb(2)-Ga(3) bond lengths. In the third Nb site, Nb(3) is bonded to four equivalent Ga(1), four equivalent Ga(4), and four equivalent Ga(5) atoms to form NbGa12 cuboctahedra that share corners with four equivalent Nb(3)Ga12 cuboctahedra, edges with eight equivalent Nb(1)Ga12 cuboctahedra, edges with eight equivalent Ga(1)Nb4Ga8 cuboctahedra, edges with eight equivalent Ga(5)Nb4Ga8 cuboctahedra, faces with four equivalent Nb(3)Ga12 cuboctahedra, faces with four equivalent Ga(1)Nb4Ga8 cuboctahedra, and faces with four equivalent Ga(5)Nb4Ga8 cuboctahedra. All Nb(3)-Ga(1) bond lengths are 2.89 Å. All Nb(3)-Ga(4) bond lengths are 2.65 Å. All Nb(3)-Ga(5) bond lengths are 2.89 Å. There are seven inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to two equivalent Nb(1), two equivalent Nb(3), two equivalent Ga(4), two equivalent Ga(7), and four equivalent Ga(5) atoms to form distorted GaNb4Ga8 cuboctahedra that share corners with eight equivalent Ga(1)Nb4Ga8 cuboctahedra, edges with four equivalent Nb(1)Ga12 cuboctahedra, edges with four equivalent Nb(3)Ga12 cuboctahedra, edges with four equivalent Ga(5)Nb4Ga8 cuboctahedra, faces with two equivalent Nb(1)Ga12 cuboctahedra, faces with two equivalent Nb(3)Ga12 cuboctahedra, faces with four equivalent Ga(5)Nb4Ga8 cuboctahedra, and faces with five equivalent Ga(1)Nb4Ga8 cuboctahedra. Both Ga(1)-Ga(4) bond lengths are 2.89 Å. Both Ga(1)-Ga(7) bond lengths are 2.96 Å. All Ga(1)-Ga(5) bond lengths are 2.65 Å. In the second Ga site, Ga(2) is bonded in a 10-coordinate geometry to two equivalent Nb(1), two equivalent Nb(2), two equivalent Ga(7), and four equivalent Ga(6) atoms. Both Ga(2)-Ga(7) bond lengths are 2.83 Å. All Ga(2)-Ga(6) bond lengths are 2.65 Å. In the third Ga site, Ga(3) is bonded in a 8-coordinate geometry to six equivalent Nb(2) and two equivalent Ga(3) atoms. Both Ga(3)-Ga(3) bond lengths are 2.56 Å. In the fourth Ga site, Ga(4) is bonded in a distorted square co-planar geometry to four equivalent Nb(3), four equivalent Ga(1), and four equivalent Ga(5) atoms. All Ga(4)-Ga(5) bond lengths are 2.88 Å. In the fifth Ga site, Ga(5) is bonded to two equivalent Nb(1), two equivalent Nb(3), two equivalent Ga(4), two equivalent Ga(7), and four equivalent Ga(1) atoms to form distorted GaNb4Ga8 cuboctahedra that share corners with eight equivalent Ga(5)Nb4Ga8 cuboctahedra, edges with four equivalent Nb(1)Ga12 cuboctahedra, edges with four equivalent Nb(3)Ga12 cuboctahedra, edges with four equivalent Ga(1)Nb4Ga8 cuboctahedra, faces with two equivalent Nb(1)Ga12 cuboctahedra, faces with two equivalent Nb(3)Ga12 cuboctahedra, faces with four equivalent Ga(1)Nb4Ga8 cuboctahedra, and faces with five equivalent Ga(5)Nb4Ga8 cuboctahedra. Both Ga(5)-Ga(7) bond lengths are 2.97 Å. In the sixth Ga site, Ga(6) is bonded in a 10-coordinate geometry to two equivalent Nb(1), two equivalent Nb(2), two equivalent Ga(7), and four equivalent Ga(2) atoms. Both Ga(6)-Ga(7) bond lengths are 2.84 Å. In the seventh Ga site, Ga(7) is bonded in a distorted rectangular see-saw-like geometry to four equivalent Nb(1), two equivalent Ga(1), two equivalent Ga(2), two equivalent Ga(5), and two equivalent Ga(6) atoms.