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NdPb3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nd is bonded to twelve equivalent Pb atoms to form a mixture of face and corner-sharing NdPb12 cuboctahedra. All Nd–Pb bond lengths are 3.49 Å. Pb is bonded in a distorted square co-planar geometry to four equivalent Nd atoms.
Nd5Pb3 crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All Nd–Pb bond lengths are 3.38 Å. In the second Nd site, Nd is bonded in a 5-coordinate geometry to five equivalent Pb atoms. There are a spread of Nd–Pb bond distances ranging from 3.23–3.75 Å. Pb is bonded in a 9-coordinate geometry to nine Nd atoms.