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NdIr3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nd is bonded to twelve equivalent Ir atoms to form a mixture of corner and face-sharing NdIr12 cuboctahedra. All Nd–Ir bond lengths are 2.92 Å. Ir is bonded in a distorted square co-planar geometry to four equivalent Nd atoms.
NdIr5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Nd is bonded in a 6-coordinate geometry to eighteen Ir atoms. There are six shorter (3.09 Å) and twelve longer (3.44 Å) Nd–Ir bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded to four equivalent Nd and eight Ir atoms to form a mixture of edge, face, and corner-sharing IrNd4Ir8 cuboctahedra. There are four shorter (2.66 Å) and four longer (2.68 Å) Ir–Ir bond lengths. In the second Ir site, Ir is bonded in a 12-coordinate geometry to three equivalent Nd and six equivalent Ir atoms.
NdIr2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to twelve equivalent Ir atoms. All Nd–Ir bond lengths are 3.19 Å. Ir is bonded to six equivalent Nd and six equivalent Ir atoms to form a mixture of edge, face, and corner-sharing IrNd6Ir6 cuboctahedra. All Ir–Ir bond lengths are 2.72 Å.