La2Ni2I crystallizes in the trigonal P-3m1 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to six equivalent Ni(2) and three equivalent I(1) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to six equivalent Ni(1) and three equivalent I(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to six equivalent La(2) and three equivalent Ni(1) atoms. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to six equivalent La(1) and three equivalent Ni(2) atoms. I(1) is bonded in a 6-coordinate geometry to three equivalent La(1) and three equivalent La(2) atoms.
La2Ni2I crystallizes in the trigonal P-3m1 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to six equivalent Ni(2) and three equivalent I(1) atoms. There are three shorter (3.00 Å) and three longer (3.02 Å) La(1)-Ni(2) bond lengths. All La(1)-I(1) bond lengths are 3.52 Å. In the second La site, La(2) is bonded in a 9-coordinate geometry to six equivalent Ni(1) and three equivalent I(1) atoms. There are three shorter (3.00 Å) and three longer (3.01 Å) La(2)-Ni(1) bond lengths. All La(2)-I(1) bond lengths are 3.52 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to six equivalent La(2) and three equivalent Ni(1) atoms. All Ni(1)-Ni(1) bond lengths are 2.38 Å. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to six equivalent La(1) and three equivalent Ni(2) atoms. All Ni(2)-Ni(2) bond lengths are 2.38 Å. I(1) is bonded in a 6-coordinate geometry to three equivalent La(1) and three equivalent La(2) atoms.