NdCo3Ga2 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 hexagonal planar geometry to six equivalent Co(2) and twelve equivalent Ga(1) atoms. In the second Nd site, Nd(2) is bonded in a 18-coordinate geometry to six equivalent Co(1), six equivalent Co(2), and six equivalent Ga(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to four equivalent Nd(2), four equivalent Co(2), and four equivalent Ga(1) atoms to form a mixture of corner and face-sharing CoNd4Ga4Co4 cuboctahedra. In the second Co site, Co(2) is bonded in a 9-coordinate geometry to one Nd(1), two equivalent Nd(2), two equivalent Co(1), and four equivalent Ga(1) atoms. Ga(1) is bonded in a 12-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), two equivalent Co(1), four equivalent Co(2), and two equivalent Ga(1) atoms.
NdCo3Ga2 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 hexagonal planar geometry to six equivalent Co(2) and twelve equivalent Ga(1) atoms. All Nd(1)-Co(2) bond lengths are 2.87 Å. All Nd(1)-Ga(1) bond lengths are 3.43 Å. In the second Nd site, Nd(2) is bonded in a 18-coordinate geometry to six equivalent Co(1), six equivalent Co(2), and six equivalent Ga(1) atoms. All Nd(2)-Co(1) bond lengths are 3.25 Å. All Nd(2)-Co(2) bond lengths are 3.06 Å. All Nd(2)-Ga(1) bond lengths are 3.13 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to four equivalent Nd(2), four equivalent Co(2), and four equivalent Ga(1) atoms to form a mixture of corner and face-sharing CoNd4Ga4Co4 cuboctahedra. All Co(1)-Co(2) bond lengths are 2.51 Å. All 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(1), two equivalent Nd(2), two equivalent Co(1), and four equivalent Ga(1) atoms. All Co(2)-Ga(1) bond lengths are 2.43 Å. Ga(1) is bonded in a 12-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), two equivalent Co(1), four equivalent Co(2), and two equivalent Ga(1) atoms. Both Ga(1)-Ga(1) bond lengths are 2.84 Å.