CeCuIn crystallizes in the hexagonal P-62m space group. Ce(1) is bonded in a 11-coordinate geometry to one Cu(2), four equivalent Cu(1), and six equivalent In(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 9-coordinate geometry to six equivalent Ce(1) and three equivalent In(1) atoms. In the second Cu site, Cu(2) is bonded in a 9-coordinate geometry to three equivalent Ce(1) and six equivalent In(1) atoms. In(1) is bonded in a 12-coordinate geometry to six equivalent Ce(1), two equivalent Cu(1), two equivalent Cu(2), and two equivalent In(1) atoms.
CeCuIn crystallizes in the hexagonal P-62m space group. Ce(1) is bonded in a 11-coordinate geometry to one Cu(2), four equivalent Cu(1), and six equivalent In(1) atoms. The Ce(1)-Cu(2) bond length is 3.15 Å. All Ce(1)-Cu(1) bond lengths are 3.07 Å. There are two shorter (3.29 Å) and four longer (3.45 Å) Ce(1)-In(1) bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 9-coordinate geometry to six equivalent Ce(1) and three equivalent In(1) atoms. All Cu(1)-In(1) bond lengths are 2.90 Å. In the second Cu site, Cu(2) is bonded in a 9-coordinate geometry to three equivalent Ce(1) and six equivalent In(1) atoms. All Cu(2)-In(1) bond lengths are 2.78 Å. In(1) is bonded in a 12-coordinate geometry to six equivalent Ce(1), two equivalent Cu(1), two equivalent Cu(2), and two equivalent In(1) atoms. Both In(1)-In(1) bond lengths are 3.16 Å.