Nd2Cu3Ga5 crystallizes in the tetragonal P-4m2 space group. Nd(1) is bonded in a 16-coordinate geometry to two equivalent Cu(1), two equivalent Cu(2), two equivalent Cu(3), two equivalent Ga(3), four equivalent Ga(1), and four equivalent Ga(2) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to four equivalent Nd(1) and four equivalent Ga(2) atoms. In the second Cu site, Cu(2) is bonded to four equivalent Nd(1), four equivalent Ga(1), and four equivalent Ga(3) atoms to form distorted CuNd4Ga8 cuboctahedra that share corners with four equivalent Cu(2)Nd4Ga8 cuboctahedra, faces with four equivalent Cu(2)Nd4Ga8 cuboctahedra, and faces with four equivalent Ga(3)Nd4Ga4Cu4 cuboctahedra. In the third Cu site, Cu(3) is bonded in a 4-coordinate geometry to four equivalent Nd(1) and four equivalent Ga(2) atoms. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to four equivalent Nd(1), two equivalent Cu(2), one Ga(2), and two equivalent Ga(3) atoms. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to four equivalent Nd(1), two equivalent Cu(1), two equivalent Cu(3), and one Ga(1) atom. In the third Ga site, Ga(3) is bonded to four equivalent Nd(1), four equivalent Cu(2), and four equivalent Ga(1) atoms to form GaNd4Ga4Cu4 cuboctahedra that share corners with four equivalent Ga(3)Nd4Ga4Cu4 cuboctahedra, faces with four equivalent Cu(2)Nd4Ga8 cuboctahedra, and faces with four equivalent Ga(3)Nd4Ga4Cu4 cuboctahedra.
Nd2Cu3Ga5 crystallizes in the tetragonal P-4m2 space group. Nd(1) is bonded in a 16-coordinate geometry to two equivalent Cu(1), two equivalent Cu(2), two equivalent Cu(3), two equivalent Ga(3), four equivalent Ga(1), and four equivalent Ga(2) atoms. Both Nd(1)-Cu(1) bond lengths are 3.26 Å. Both Nd(1)-Cu(2) bond lengths are 3.37 Å. Both Nd(1)-Cu(3) bond lengths are 3.26 Å. Both Nd(1)-Ga(3) bond lengths are 3.37 Å. All Nd(1)-Ga(1) bond lengths are 3.21 Å. All Nd(1)-Ga(2) bond lengths are 3.22 Å. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to four equivalent Nd(1) and four equivalent Ga(2) atoms. All Cu(1)-Ga(2) bond lengths are 2.43 Å. In the second Cu site, Cu(2) is bonded to four equivalent Nd(1), four equivalent Ga(1), and four equivalent Ga(3) atoms to form distorted CuNd4Ga8 cuboctahedra that share corners with four equivalent Cu(2)Nd4Ga8 cuboctahedra, faces with four equivalent Cu(2)Nd4Ga8 cuboctahedra, and faces with four equivalent Ga(3)Nd4Ga4Cu4 cuboctahedra. All Cu(2)-Ga(1) bond lengths are 2.52 Å. All Cu(2)-Ga(3) bond lengths are 2.96 Å. In the third Cu site, Cu(3) is bonded in a 4-coordinate geometry to four equivalent Nd(1) and four equivalent Ga(2) atoms. All Cu(3)-Ga(2) bond lengths are 2.43 Å. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to four equivalent Nd(1), two equivalent Cu(2), one Ga(2), and two equivalent Ga(3) atoms. The Ga(1)-Ga(2) bond length is 2.50 Å. Both Ga(1)-Ga(3) bond lengths are 2.52 Å. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to four equivalent Nd(1), two equivalent Cu(1), two equivalent Cu(3), and one Ga(1) atom. In the third Ga site, Ga(3) is bonded to four equivalent Nd(1), four equivalent Cu(2), and four equivalent Ga(1) atoms to form GaNd4Ga4Cu4 cuboctahedra that share corners with four equivalent Ga(3)Nd4Ga4Cu4 cuboctahedra, faces with four equivalent Cu(2)Nd4Ga8 cuboctahedra, and faces with four equivalent Ga(3)Nd4Ga4Cu4 cuboctahedra.