CuIn2 crystallizes in the hexagonal P6_3/mmc space group. Cu(1) is bonded in a 3-coordinate geometry to three equivalent In(1) and six equivalent In(2) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in a trigonal planar geometry to three equivalent Cu(1) and six equivalent In(2) atoms. In the second In site, In(2) is bonded in a 14-coordinate geometry to six equivalent Cu(1), two equivalent In(2), and six equivalent In(1) atoms.
CuIn2 crystallizes in the hexagonal P6_3/mmc space group. Cu(1) is bonded in a 3-coordinate geometry to three equivalent In(1) and six equivalent In(2) atoms. All Cu(1)-In(1) bond lengths are 2.71 Å. All Cu(1)-In(2) bond lengths are 3.21 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded in a trigonal planar geometry to three equivalent Cu(1) and six equivalent In(2) atoms. All In(1)-In(2) bond lengths are 3.21 Å. In the second In site, In(2) is bonded in a 14-coordinate geometry to six equivalent Cu(1), two equivalent In(2), and six equivalent In(1) atoms. Both In(2)-In(2) bond lengths are 3.45 Å.