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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.
Nd3Ir is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Nd3Ir sheets oriented in the (0, 0, 1) direction. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 2-coordinate geometry to two equivalent Ir atoms. There are one shorter (2.92 Å) and one longer (2.96 Å) Nd–Ir bond lengths. In the second Nd site, Nd is bonded in a distorted bent 150 degrees geometry to two equivalent Ir atoms. There are one shorter (2.90 Å) and one longer (2.99 Å) Nd–Ir bond lengths. Ir is bonded in a 6-coordinate geometry to six Nd atoms.
NdIr3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 12-coordinate geometry to twelve Ir atoms. There are a spread of Nd–Ir bond distances ranging from 3.11–3.39 Å. In the second Nd site, Nd is bonded in a 6-coordinate geometry to eighteen Ir atoms. There are six shorter (3.11 Å) and twelve longer (3.44 Å) Nd–Ir bond lengths. There are three inequivalent Ir sites. In the first Ir site, Ir is bonded to five Nd and seven Ir atoms to form a mixture of edge, face, and corner-sharing IrNd5Ir7 cuboctahedra. There are a spread of Ir–Ir bond distances ranging from 2.63–2.76 Å. In the second Ir site, Ir is bonded in a 12-coordinate geometry to three equivalent Nd and six equivalent Ir atoms. In the third Ir site, Ir is bonded to six equivalent Nd and six equivalent Ir atoms to form IrNd6Ir6 cuboctahedra that share corners with twelve equivalent IrNd5Ir7 cuboctahedra, edges with six equivalent IrNd6Ir6 cuboctahedra, and faces with eighteen equivalent IrNd5Ir7 cuboctahedra.
Nd2Ir7 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are six inequivalent Nd sites. In the first Nd site, Nd is bonded in a 6-coordinate geometry to eighteen Ir atoms. There are a spread of Nd–Ir bond distances ranging from 3.11–3.56 Å. In the second Nd site, Nd is bonded in a 6-coordinate geometry to eighteen Ir atoms. There are a spread of Nd–Ir bond distances ranging from 3.11–3.56 Å. In the third Nd site, Nd is bonded in a 12-coordinate geometry to twelve Ir atoms. There are a spread of Nd–Ir bond distances ranging from 3.09–3.38 Å. In the fourth Nd site, Nd is bonded in a 6-coordinate geometry to eighteen Ir atoms. There are a spread of Nd–Ir bond distances ranging from 3.11–3.56 Å. In the fifth Nd site, Nd is bonded in a 6-coordinate geometry to eighteen Ir atoms. There are a spread of Nd–Ir bond distances ranging from 3.11–3.56 Å. In the sixth Nd site, Nd is bonded in a 6-coordinate geometry to eighteen Ir atoms. There are a spread of Nd–Ir bond distances ranging from 3.11–3.56 Å. There are seven inequivalent Ir sites. In the first Ir site, Ir is bonded to six equivalent Nd and six equivalent Ir atoms to form IrNd6Ir6 cuboctahedra that share corners with twelve equivalent IrNd5Ir7 cuboctahedra, edges with six equivalent IrNd6Ir6 cuboctahedra, and faces with eighteen equivalent IrNd5Ir7 cuboctahedra. All Ir–Ir bond lengths are 2.74 Å. In the second Ir site, Ir is bonded in a 12-coordinate geometry to three equivalent Nd and six Ir atoms. There are three shorter (2.64 Å) and three longer (2.70 Å) Ir–Ir bond lengths. In the third Ir site, Ir is bonded in a 12-coordinate geometry to three equivalent Nd and six Ir atoms. There are three shorter (2.65 Å) and three longer (2.68 Å) Ir–Ir bond lengths. In the fourth 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 two shorter (2.68 Å) and four longer (2.69 Å) Ir–Ir bond lengths. In the fifth 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. Both Ir–Ir bond lengths are 2.69 Å. In the sixth 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. In the seventh Ir site, Ir is bonded to five Nd and seven Ir atoms to form distorted IrNd5Ir7 cuboctahedra that share corners with seventeen IrNd6Ir6 cuboctahedra, edges with eight IrNd4Ir8 cuboctahedra, and faces with fourteen IrNd6Ir6 cuboctahedra. There are two shorter (2.68 Å) and two longer (2.70 Å) Ir–Ir bond lengths.