Nd2Au3Ga5 crystallizes in the tetragonal P-4m2 space group. Nd(1) is bonded in a 16-coordinate geometry to two equivalent Au(2), four equivalent Au(1), two equivalent Ga(1), two equivalent Ga(2), two equivalent Ga(4), and four equivalent Ga(3) atoms. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 9-coordinate geometry to four equivalent Nd(1), two equivalent Au(2), one Ga(3), and two equivalent Ga(4) atoms. In the second Au site, Au(2) is bonded to four equivalent Nd(1), four equivalent Au(1), and four equivalent Ga(4) atoms to form AuNd4Ga4Au4 cuboctahedra that share corners with four equivalent Au(2)Nd4Ga4Au4 cuboctahedra, faces with four equivalent Au(2)Nd4Ga4Au4 cuboctahedra, and faces with four equivalent Ga(4)Nd4Au8 cuboctahedra. There are four inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 8-coordinate geometry to four equivalent Nd(1) and four equivalent Ga(3) atoms. In the second Ga site, Ga(2) is bonded in a 8-coordinate geometry to four equivalent Nd(1) and four equivalent Ga(3) atoms. In the third Ga site, Ga(3) is bonded in a distorted single-bond geometry to four equivalent Nd(1), one Au(1), two equivalent Ga(1), and two equivalent Ga(2) atoms. In the fourth Ga site, Ga(4) is bonded to four equivalent Nd(1), four equivalent Au(1), and four equivalent Au(2) atoms to form distorted GaNd4Au8 cuboctahedra that share corners with four equivalent Ga(4)Nd4Au8 cuboctahedra, faces with four equivalent Au(2)Nd4Ga4Au4 cuboctahedra, and faces with four equivalent Ga(4)Nd4Au8 cuboctahedra.
Nd2Au3Ga5 crystallizes in the tetragonal P-4m2 space group. Nd(1) is bonded in a 16-coordinate geometry to two equivalent Au(2), four equivalent Au(1), two equivalent Ga(1), two equivalent Ga(2), two equivalent Ga(4), and four equivalent Ga(3) atoms. Both Nd(1)-Au(2) bond lengths are 3.47 Å. All Nd(1)-Au(1) bond lengths are 3.29 Å. Both Nd(1)-Ga(1) bond lengths are 3.56 Å. Both Nd(1)-Ga(2) bond lengths are 3.56 Å. Both Nd(1)-Ga(4) bond lengths are 3.47 Å. All Nd(1)-Ga(3) bond lengths are 3.40 Å. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 9-coordinate geometry to four equivalent Nd(1), two equivalent Au(2), one Ga(3), and two equivalent Ga(4) atoms. Both Au(1)-Au(2) bond lengths are 2.72 Å. The Au(1)-Ga(3) bond length is 2.47 Å. Both Au(1)-Ga(4) bond lengths are 2.72 Å. In the second Au site, Au(2) is bonded to four equivalent Nd(1), four equivalent Au(1), and four equivalent Ga(4) atoms to form AuNd4Ga4Au4 cuboctahedra that share corners with four equivalent Au(2)Nd4Ga4Au4 cuboctahedra, faces with four equivalent Au(2)Nd4Ga4Au4 cuboctahedra, and faces with four equivalent Ga(4)Nd4Au8 cuboctahedra. All Au(2)-Ga(4) bond lengths are 3.11 Å. There are four inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 8-coordinate geometry to four equivalent Nd(1) and four equivalent Ga(3) atoms. All Ga(1)-Ga(3) bond lengths are 2.61 Å. In the second Ga site, Ga(2) is bonded in a 8-coordinate geometry to four equivalent Nd(1) and four equivalent Ga(3) atoms. All Ga(2)-Ga(3) bond lengths are 2.61 Å. In the third Ga site, Ga(3) is bonded in a distorted single-bond geometry to four equivalent Nd(1), one Au(1), two equivalent Ga(1), and two equivalent Ga(2) atoms. In the fourth Ga site, Ga(4) is bonded to four equivalent Nd(1), four equivalent Au(1), and four equivalent Au(2) atoms to form distorted GaNd4Au8 cuboctahedra that share corners with four equivalent Ga(4)Nd4Au8 cuboctahedra, faces with four equivalent Au(2)Nd4Ga4Au4 cuboctahedra, and faces with four equivalent Ga(4)Nd4Au8 cuboctahedra.