NdCo4Ga crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 18-coordinate geometry to six equivalent Co(1), six equivalent Co(2), and six equivalent Ga(1) atoms. In the second Nd site, Nd(2) is bonded in a 18-coordinate geometry to six equivalent Co(2) and twelve equivalent Co(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent Nd(1), two equivalent Nd(2), two equivalent Co(1), four equivalent Co(2), and two equivalent Ga(1) atoms to form CoNd4Ga2Co6 cuboctahedra that share corners with four equivalent Ga(1)Nd4Co8 cuboctahedra, corners with twelve equivalent Co(1)Nd4Ga2Co6 cuboctahedra, edges with five equivalent Co(1)Nd4Ga2Co6 cuboctahedra, edges with five equivalent Ga(1)Nd4Co8 cuboctahedra, faces with two equivalent Ga(1)Nd4Co8 cuboctahedra, and faces with eight equivalent Co(1)Nd4Ga2Co6 cuboctahedra. In the second Co site, Co(2) is bonded in a 9-coordinate geometry to one Nd(2), two equivalent Nd(1), four equivalent Co(1), and two equivalent Ga(1) atoms. Ga(1) is bonded to four equivalent Nd(1), four equivalent Co(1), and four equivalent Co(2) atoms to form GaNd4Co8 cuboctahedra that share corners with eight equivalent Co(1)Nd4Ga2Co6 cuboctahedra, corners with eight equivalent Ga(1)Nd4Co8 cuboctahedra, edges with ten equivalent Co(1)Nd4Ga2Co6 cuboctahedra, faces with four equivalent Co(1)Nd4Ga2Co6 cuboctahedra, and faces with six equivalent Ga(1)Nd4Co8 cuboctahedra.
NdCo4Ga crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 18-coordinate geometry to six equivalent Co(1), six equivalent Co(2), and six equivalent Ga(1) atoms. All Nd(1)-Co(1) bond lengths are 3.30 Å. All Nd(1)-Co(2) bond lengths are 2.95 Å. All Nd(1)-Ga(1) bond lengths are 3.22 Å. In the second Nd site, Nd(2) is bonded in a 18-coordinate geometry to six equivalent Co(2) and twelve equivalent Co(1) atoms. All Nd(2)-Co(2) bond lengths are 2.83 Å. All Nd(2)-Co(1) bond lengths are 3.15 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent Nd(1), two equivalent Nd(2), two equivalent Co(1), four equivalent Co(2), and two equivalent Ga(1) atoms to form CoNd4Ga2Co6 cuboctahedra that share corners with four equivalent Ga(1)Nd4Co8 cuboctahedra, corners with twelve equivalent Co(1)Nd4Ga2Co6 cuboctahedra, edges with five equivalent Co(1)Nd4Ga2Co6 cuboctahedra, edges with five equivalent Ga(1)Nd4Co8 cuboctahedra, faces with two equivalent Ga(1)Nd4Co8 cuboctahedra, and faces with eight equivalent Co(1)Nd4Ga2Co6 cuboctahedra. Both Co(1)-Co(1) bond lengths are 2.42 Å. All Co(1)-Co(2) bond lengths are 2.46 Å. Both Co(1)-Ga(1) bond lengths are 2.57 Å. In the second Co site, Co(2) is bonded in a 9-coordinate geometry to one Nd(2), two equivalent Nd(1), four equivalent Co(1), and two equivalent Ga(1) atoms. Both Co(2)-Ga(1) bond lengths are 2.53 Å. Ga(1) is bonded to four equivalent Nd(1), four equivalent Co(1), and four equivalent Co(2) atoms to form GaNd4Co8 cuboctahedra that share corners with eight equivalent Co(1)Nd4Ga2Co6 cuboctahedra, corners with eight equivalent Ga(1)Nd4Co8 cuboctahedra, edges with ten equivalent Co(1)Nd4Ga2Co6 cuboctahedra, faces with four equivalent Co(1)Nd4Ga2Co6 cuboctahedra, and faces with six equivalent Ga(1)Nd4Co8 cuboctahedra.