Nd3PbC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one methane molecule and one Nd3Pb framework. In the Nd3Pb framework, Nd is bonded in a linear geometry to two equivalent Pb atoms. Both Nd–Pb bond lengths are 2.94 Å. Pb is bonded to six equivalent Nd atoms to form corner-sharing PbNd6 octahedra. The corner-sharing octahedral tilt angles are 0°.