NdCu6In6 crystallizes in the orthorhombic Immm space group. Nd(1) is bonded in a 20-coordinate geometry to four equivalent Cu(2), eight equivalent Cu(1), two equivalent In(1), two equivalent In(2), and four equivalent In(3) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent Nd(1), two equivalent Cu(1), two equivalent Cu(2), two equivalent In(1), two equivalent In(2), and two equivalent In(3) atoms to form a mixture of distorted corner, edge, and face-sharing CuNd2In6Cu4 cuboctahedra. In the second Cu site, Cu(2) is bonded in a 12-coordinate geometry to two equivalent Nd(1), four equivalent Cu(1), two equivalent In(1), two equivalent In(2), and two equivalent In(3) atoms. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 8-coordinate geometry to one Nd(1), two equivalent Cu(2), four equivalent Cu(1), and one In(1) atom. In the second In site, In(2) is bonded in a 10-coordinate geometry to one Nd(1), two equivalent Cu(2), four equivalent Cu(1), one In(2), and two equivalent In(3) atoms. In the third In site, In(3) is bonded in a 8-coordinate geometry to two equivalent Nd(1), two equivalent Cu(2), four equivalent Cu(1), and two equivalent In(2) atoms.
NdCu6In6 crystallizes in the orthorhombic Immm space group. Nd(1) is bonded in a 20-coordinate geometry to four equivalent Cu(2), eight equivalent Cu(1), two equivalent In(1), two equivalent In(2), and four equivalent In(3) atoms. All Nd(1)-Cu(2) bond lengths are 3.50 Å. All Nd(1)-Cu(1) bond lengths are 3.55 Å. Both Nd(1)-In(1) bond lengths are 3.11 Å. Both Nd(1)-In(2) bond lengths are 3.20 Å. All Nd(1)-In(3) bond lengths are 3.29 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent Nd(1), two equivalent Cu(1), two equivalent Cu(2), two equivalent In(1), two equivalent In(2), and two equivalent In(3) atoms to form a mixture of distorted corner, edge, and face-sharing CuNd2In6Cu4 cuboctahedra. Both Cu(1)-Cu(1) bond lengths are 2.78 Å. Both Cu(1)-Cu(2) bond lengths are 2.71 Å. Both Cu(1)-In(1) bond lengths are 2.82 Å. Both Cu(1)-In(2) bond lengths are 2.83 Å. Both Cu(1)-In(3) bond lengths are 2.75 Å. In the second Cu site, Cu(2) is bonded in a 12-coordinate geometry to two equivalent Nd(1), four equivalent Cu(1), two equivalent In(1), two equivalent In(2), and two equivalent In(3) atoms. Both Cu(2)-In(1) bond lengths are 2.95 Å. Both Cu(2)-In(2) bond lengths are 2.87 Å. Both Cu(2)-In(3) bond lengths are 2.76 Å. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 8-coordinate geometry to one Nd(1), two equivalent Cu(2), four equivalent Cu(1), and one In(1) atom. The In(1)-In(1) bond length is 2.99 Å. In the second In site, In(2) is bonded in a 10-coordinate geometry to one Nd(1), two equivalent Cu(2), four equivalent Cu(1), one In(2), and two equivalent In(3) atoms. The In(2)-In(2) bond length is 2.88 Å. Both In(2)-In(3) bond lengths are 3.13 Å. In the third In site, In(3) is bonded in a 8-coordinate geometry to two equivalent Nd(1), two equivalent Cu(2), four equivalent Cu(1), and two equivalent In(2) atoms.