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Materials Data on Nd3PbN by Materials Project

Nd3PbN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nd is bonded in a linear geometry to four equivalent Pb and two equivalent N atoms. All Nd–Pb bond lengths are 3.57 Å. Both Nd–N bond lengths are 2.52 Å. Pb is bonded to twelve equivalent Nd atoms to form PbNd12 cuboctahedra that share corners with twelve equivalent PbNd12 cuboctahedra, faces with six equivalent PbNd12 cuboctahedra, and faces with eight equivalent NNd6 octahedra. N is bonded to six equivalent Nd atoms to form NNd6 octahedra that share corners with six equivalent NNd6 octahedra and faces with eight equivalent PbNd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗

Materials Data on Nd3PbN by Materials Project

(Nd3Pb)2N2 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one ammonia 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 2.95 Å. Pb is bonded to six equivalent Nd atoms to form corner-sharing PbNd6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗