NdCrSb3 crystallizes in the orthorhombic Pbcm space group. Nd(1) is bonded in a 9-coordinate geometry to one Sb(2), four equivalent Sb(1), and four equivalent Sb(3) atoms. Cr(1) is bonded to two equivalent Sb(3) and four equivalent Sb(2) atoms to form a mixture of distorted corner, face, and edge-sharing CrSb6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to four equivalent Nd(1) and four equivalent Sb(1) atoms. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to one Nd(1), four equivalent Cr(1), and one Sb(3) atom. In the third Sb site, Sb(3) is bonded in a 7-coordinate geometry to four equivalent Nd(1), two equivalent Cr(1), and one Sb(2) atom.
NdCrSb3 crystallizes in the orthorhombic Pbcm space group. Nd(1) is bonded in a 9-coordinate geometry to one Sb(2), four equivalent Sb(1), and four equivalent Sb(3) atoms. The Nd(1)-Sb(2) bond length is 3.32 Å. There are two shorter (3.31 Å) and two longer (3.32 Å) Nd(1)-Sb(1) bond lengths. There are a spread of Nd(1)-Sb(3) bond distances ranging from 3.28-3.35 Å. Cr(1) is bonded to two equivalent Sb(3) and four equivalent Sb(2) atoms to form a mixture of distorted corner, face, and edge-sharing CrSb6 octahedra. The corner-sharing octahedral tilt angles are 46°. Both Cr(1)-Sb(3) bond lengths are 2.79 Å. All Cr(1)-Sb(2) bond lengths are 2.74 Å. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to four equivalent Nd(1) and four equivalent Sb(1) atoms. There are two shorter (3.10 Å) and two longer (3.13 Å) Sb(1)-Sb(1) bond lengths. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to one Nd(1), four equivalent Cr(1), and one Sb(3) atom. The Sb(2)-Sb(3) bond length is 3.19 Å. In the third Sb site, Sb(3) is bonded in a 7-coordinate geometry to four equivalent Nd(1), two equivalent Cr(1), and one Sb(2) atom.