NdGaSb2 crystallizes in the tetragonal I-42d space group. Nd(1) is bonded in a 10-coordinate geometry to two equivalent Ga(1), two equivalent Sb(2), two equivalent Sb(3), and four equivalent Sb(1) atoms. Ga(1) is bonded in a 6-coordinate geometry to two equivalent Nd(1), two equivalent Ga(1), and two equivalent Sb(1) atoms. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to four equivalent Nd(1) and two equivalent Ga(1) atoms to form a mixture of distorted corner and edge-sharing SbNd4Ga2 pentagonal pyramids. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to four equivalent Nd(1) and four equivalent Sb(3) atoms. In the third Sb site, Sb(3) is bonded in a 8-coordinate geometry to four equivalent Nd(1) and four equivalent Sb(2) atoms.
NdGaSb2 crystallizes in the tetragonal I-42d space group. Nd(1) is bonded in a 10-coordinate geometry to two equivalent Ga(1), two equivalent Sb(2), two equivalent Sb(3), and four equivalent Sb(1) atoms. Both Nd(1)-Ga(1) bond lengths are 3.40 Å. Both Nd(1)-Sb(2) bond lengths are 3.35 Å. Both Nd(1)-Sb(3) bond lengths are 3.35 Å. All Nd(1)-Sb(1) bond lengths are 3.28 Å. Ga(1) is bonded in a 6-coordinate geometry to two equivalent Nd(1), two equivalent Ga(1), and two equivalent Sb(1) atoms. Both Ga(1)-Ga(1) bond lengths are 2.62 Å. Both Ga(1)-Sb(1) bond lengths are 2.77 Å. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to four equivalent Nd(1) and two equivalent Ga(1) atoms to form a mixture of distorted corner and edge-sharing SbNd4Ga2 pentagonal pyramids. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to four equivalent Nd(1) and four equivalent Sb(3) atoms. All Sb(2)-Sb(3) bond lengths are 3.10 Å. In the third Sb site, Sb(3) is bonded in a 8-coordinate geometry to four equivalent Nd(1) and four equivalent Sb(2) atoms.