La2Cu2I crystallizes in the hexagonal P-6m2 space group. La(1) is bonded in a 9-coordinate geometry to three equivalent Cu(1), three equivalent Cu(2), and three equivalent I(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 La(1) and three equivalent Cu(2) atoms. In the second Cu site, Cu(2) is bonded in a 9-coordinate geometry to six equivalent La(1) and three equivalent Cu(1) atoms. I(1) is bonded in a 6-coordinate geometry to six equivalent La(1) atoms.
La2Cu2I crystallizes in the hexagonal P-6m2 space group. La(1) is bonded in a 9-coordinate geometry to three equivalent Cu(1), three equivalent Cu(2), and three equivalent I(1) atoms. All La(1)-Cu(1) bond lengths are 3.05 Å. All La(1)-Cu(2) bond lengths are 3.05 Å. All La(1)-I(1) bond lengths are 3.56 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 9-coordinate geometry to six equivalent La(1) and three equivalent Cu(2) atoms. All Cu(1)-Cu(2) bond lengths are 2.48 Å. In the second Cu site, Cu(2) is bonded in a 9-coordinate geometry to six equivalent La(1) and three equivalent Cu(1) atoms. I(1) is bonded in a 6-coordinate geometry to six equivalent La(1) atoms.