NdCo4Ga crystallizes in the hexagonal P-6m2 space group. Nd(1) is bonded in a 18-coordinate geometry to three equivalent Co(1), twelve equivalent Co(2), and three equivalent Ga(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent Nd(1), six equivalent Co(2), and three equivalent Ga(1) atoms to form distorted CoNd3Ga3Co6 cuboctahedra that share corners with nine equivalent Ga(1)Nd3Co9 cuboctahedra, corners with twelve equivalent Co(2)Nd4Ga2Co6 cuboctahedra, edges with six equivalent Co(1)Nd3Ga3Co6 cuboctahedra, faces with two equivalent Co(1)Nd3Ga3Co6 cuboctahedra, faces with three equivalent Ga(1)Nd3Co9 cuboctahedra, and faces with eighteen equivalent Co(2)Nd4Ga2Co6 cuboctahedra. In the second Co site, Co(2) is bonded to four equivalent Nd(1), two equivalent Co(1), four equivalent Co(2), and two equivalent Ga(1) atoms to form CoNd4Ga2Co6 cuboctahedra that share corners with four equivalent Co(1)Nd3Ga3Co6 cuboctahedra, corners with four equivalent Ga(1)Nd3Co9 cuboctahedra, corners with sixteen equivalent Co(2)Nd4Ga2Co6 cuboctahedra, edges with ten equivalent Co(2)Nd4Ga2Co6 cuboctahedra, faces with six equivalent Co(1)Nd3Ga3Co6 cuboctahedra, faces with six equivalent Ga(1)Nd3Co9 cuboctahedra, and faces with ten equivalent Co(2)Nd4Ga2Co6 cuboctahedra. Ga(1) is bonded to three equivalent Nd(1), three equivalent Co(1), and six equivalent Co(2) atoms to form distorted GaNd3Co9 cuboctahedra that share corners with nine equivalent Co(1)Nd3Ga3Co6 cuboctahedra, corners with twelve equivalent Co(2)Nd4Ga2Co6 cuboctahedra, edges with six equivalent Ga(1)Nd3Co9 cuboctahedra, faces with two equivalent Ga(1)Nd3Co9 cuboctahedra, faces with three equivalent Co(1)Nd3Ga3Co6 cuboctahedra, and faces with eighteen equivalent Co(2)Nd4Ga2Co6 cuboctahedra.
NdCo4Ga crystallizes in the hexagonal P-6m2 space group. Nd(1) is bonded in a 18-coordinate geometry to three equivalent Co(1), twelve equivalent Co(2), and three equivalent Ga(1) atoms. All Nd(1)-Co(1) bond lengths are 2.97 Å. All Nd(1)-Co(2) bond lengths are 3.22 Å. All Nd(1)-Ga(1) bond lengths are 2.97 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent Nd(1), six equivalent Co(2), and three equivalent Ga(1) atoms to form distorted CoNd3Ga3Co6 cuboctahedra that share corners with nine equivalent Ga(1)Nd3Co9 cuboctahedra, corners with twelve equivalent Co(2)Nd4Ga2Co6 cuboctahedra, edges with six equivalent Co(1)Nd3Ga3Co6 cuboctahedra, faces with two equivalent Co(1)Nd3Ga3Co6 cuboctahedra, faces with three equivalent Ga(1)Nd3Co9 cuboctahedra, and faces with eighteen equivalent Co(2)Nd4Ga2Co6 cuboctahedra. All Co(1)-Co(2) bond lengths are 2.42 Å. All Co(1)-Ga(1) bond lengths are 2.97 Å. In the second Co site, Co(2) is bonded to four equivalent Nd(1), two equivalent Co(1), four equivalent Co(2), and two equivalent Ga(1) atoms to form CoNd4Ga2Co6 cuboctahedra that share corners with four equivalent Co(1)Nd3Ga3Co6 cuboctahedra, corners with four equivalent Ga(1)Nd3Co9 cuboctahedra, corners with sixteen equivalent Co(2)Nd4Ga2Co6 cuboctahedra, edges with ten equivalent Co(2)Nd4Ga2Co6 cuboctahedra, faces with six equivalent Co(1)Nd3Ga3Co6 cuboctahedra, faces with six equivalent Ga(1)Nd3Co9 cuboctahedra, and faces with ten equivalent Co(2)Nd4Ga2Co6 cuboctahedra. There are two shorter (2.50 Å) and two longer (2.64 Å) Co(2)-Co(2) bond lengths. Both Co(2)-Ga(1) bond lengths are 2.47 Å. Ga(1) is bonded to three equivalent Nd(1), three equivalent Co(1), and six equivalent Co(2) atoms to form distorted GaNd3Co9 cuboctahedra that share corners with nine equivalent Co(1)Nd3Ga3Co6 cuboctahedra, corners with twelve equivalent Co(2)Nd4Ga2Co6 cuboctahedra, edges with six equivalent Ga(1)Nd3Co9 cuboctahedra, faces with two equivalent Ga(1)Nd3Co9 cuboctahedra, faces with three equivalent Co(1)Nd3Ga3Co6 cuboctahedra, and faces with eighteen equivalent Co(2)Nd4Ga2Co6 cuboctahedra.