Nd3Cu4Sn4 crystallizes in the monoclinic C2/m space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to two equivalent Sn(2) and four equivalent Sn(1) atoms to form distorted edge-sharing NdSn6 octahedra. In the second Nd site, Nd(2) is bonded in a 12-coordinate geometry to six equivalent Cu(1), two equivalent Sn(2), and four equivalent Sn(1) atoms. Cu(1) is bonded in a 8-coordinate geometry to three equivalent Nd(2), one Cu(1), one Sn(1), and three equivalent Sn(2) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 9-coordinate geometry to two equivalent Nd(1), four equivalent Nd(2), two equivalent Cu(1), and one Sn(1) atom. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to one Nd(1), two equivalent Nd(2), and six equivalent Cu(1) atoms.
Nd3Cu4Sn4 crystallizes in the monoclinic C2/m space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to two equivalent Sn(2) and four equivalent Sn(1) atoms to form distorted edge-sharing NdSn6 octahedra. Both Nd(1)-Sn(2) bond lengths are 3.26 Å. All Nd(1)-Sn(1) bond lengths are 3.10 Å. In the second Nd site, Nd(2) is bonded in a 12-coordinate geometry to six equivalent Cu(1), two equivalent Sn(2), and four equivalent Sn(1) atoms. There are a spread of Nd(2)-Cu(1) bond distances ranging from 3.22-3.25 Å. Both Nd(2)-Sn(2) bond lengths are 3.20 Å. All Nd(2)-Sn(1) bond lengths are 3.35 Å. Cu(1) is bonded in a 8-coordinate geometry to three equivalent Nd(2), one Cu(1), one Sn(1), and three equivalent Sn(2) atoms. The Cu(1)-Cu(1) bond length is 2.55 Å. The Cu(1)-Sn(1) bond length is 2.64 Å. There are a spread of Cu(1)-Sn(2) bond distances ranging from 2.71-2.83 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 9-coordinate geometry to two equivalent Nd(1), four equivalent Nd(2), two equivalent Cu(1), and one Sn(1) atom. The Sn(1)-Sn(1) bond length is 2.80 Å. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to one Nd(1), two equivalent Nd(2), and six equivalent Cu(1) atoms.