Nd2FeSb4 crystallizes in the tetragonal P-4m2 space group. Nd(1) is bonded in a 11-coordinate geometry to two equivalent Fe(1), two equivalent Sb(2), two equivalent Sb(3), and five equivalent Sb(1) atoms. Fe(1) is bonded in a 8-coordinate geometry to four equivalent Nd(1) and four equivalent Sb(1) atoms. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 7-coordinate geometry to five equivalent Nd(1) and two equivalent Fe(1) atoms. 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.
Nd2FeSb4 crystallizes in the tetragonal P-4m2 space group. Nd(1) is bonded in a 11-coordinate geometry to two equivalent Fe(1), two equivalent Sb(2), two equivalent Sb(3), and five equivalent Sb(1) atoms. Both Nd(1)-Fe(1) bond lengths are 3.18 Å. Both Nd(1)-Sb(2) bond lengths are 3.35 Å. Both Nd(1)-Sb(3) bond lengths are 3.35 Å. There are four shorter (3.32 Å) and one longer (3.48 Å) Nd(1)-Sb(1) bond length. Fe(1) is bonded in a 8-coordinate geometry to four equivalent Nd(1) and four equivalent Sb(1) atoms. All Fe(1)-Sb(1) bond lengths are 2.51 Å. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 7-coordinate geometry to five equivalent Nd(1) and two equivalent Fe(1) atoms. 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 3.13 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.