Nd2GaAl3 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to two equivalent Ga(1), two equivalent Al(3), four equivalent Al(1), and four equivalent Al(2) atoms to form NdAl10Ga2 cuboctahedra that share edges with four equivalent Nd(1)Al10Ga2 cuboctahedra, edges with eight equivalent Nd(2)Al8Ga4 cuboctahedra, faces with four equivalent Nd(1)Al10Ga2 cuboctahedra, and faces with four equivalent Nd(2)Al8Ga4 cuboctahedra. In the second Nd site, Nd(2) is bonded to four equivalent Ga(1), two equivalent Al(1), two equivalent Al(2), and four equivalent Al(3) atoms to form NdAl8Ga4 cuboctahedra that share edges with four equivalent Nd(2)Al8Ga4 cuboctahedra, edges with eight equivalent Nd(1)Al10Ga2 cuboctahedra, faces with four equivalent Nd(1)Al10Ga2 cuboctahedra, and faces with four equivalent Nd(2)Al8Ga4 cuboctahedra. Ga(1) is bonded in a 9-coordinate geometry to two equivalent Nd(1), four equivalent Nd(2), one Al(3), and two equivalent Al(2) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 9-coordinate geometry to two equivalent Nd(2), four equivalent Nd(1), one Al(2), and two equivalent Al(3) atoms. In the second Al site, Al(2) is bonded in a 9-coordinate geometry to two equivalent Nd(2), four equivalent Nd(1), two equivalent Ga(1), and one Al(1) atom. In the third Al site, Al(3) is bonded in a 9-coordinate geometry to two equivalent Nd(1), four equivalent Nd(2), one Ga(1), and two equivalent Al(1) atoms.
Nd2GaAl3 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to two equivalent Ga(1), two equivalent Al(3), four equivalent Al(1), and four equivalent Al(2) atoms to form NdAl10Ga2 cuboctahedra that share edges with four equivalent Nd(1)Al10Ga2 cuboctahedra, edges with eight equivalent Nd(2)Al8Ga4 cuboctahedra, faces with four equivalent Nd(1)Al10Ga2 cuboctahedra, and faces with four equivalent Nd(2)Al8Ga4 cuboctahedra. Both Nd(1)-Ga(1) bond lengths are 3.24 Å. Both Nd(1)-Al(3) bond lengths are 3.27 Å. All Nd(1)-Al(1) bond lengths are 3.25 Å. All Nd(1)-Al(2) bond lengths are 3.24 Å. In the second Nd site, Nd(2) is bonded to four equivalent Ga(1), two equivalent Al(1), two equivalent Al(2), and four equivalent Al(3) atoms to form NdAl8Ga4 cuboctahedra that share edges with four equivalent Nd(2)Al8Ga4 cuboctahedra, edges with eight equivalent Nd(1)Al10Ga2 cuboctahedra, faces with four equivalent Nd(1)Al10Ga2 cuboctahedra, and faces with four equivalent Nd(2)Al8Ga4 cuboctahedra. All Nd(2)-Ga(1) bond lengths are 3.23 Å. Both Nd(2)-Al(1) bond lengths are 3.26 Å. Both Nd(2)-Al(2) bond lengths are 3.23 Å. All Nd(2)-Al(3) bond lengths are 3.24 Å. Ga(1) is bonded in a 9-coordinate geometry to two equivalent Nd(1), four equivalent Nd(2), one Al(3), and two equivalent Al(2) atoms. The Ga(1)-Al(3) bond length is 2.58 Å. Both Ga(1)-Al(2) bond lengths are 2.61 Å. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 9-coordinate geometry to two equivalent Nd(2), four equivalent Nd(1), one Al(2), and two equivalent Al(3) atoms. The Al(1)-Al(2) bond length is 2.63 Å. Both Al(1)-Al(3) bond lengths are 2.61 Å. In the second Al site, Al(2) is bonded in a 9-coordinate geometry to two equivalent Nd(2), four equivalent Nd(1), two equivalent Ga(1), and one Al(1) atom. In the third Al site, Al(3) is bonded in a 9-coordinate geometry to two equivalent Nd(1), four equivalent Nd(2), one Ga(1), and two equivalent Al(1) atoms.