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Materials Data on CeNdN2 by Materials Project

NdCeN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Nd3+ is bonded to six equivalent N3- atoms to form NdN6 octahedra that share corners with six equivalent CeN6 octahedra, edges with six equivalent NdN6 octahedra, and edges with six equivalent CeN6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Nd–N bond lengths are 2.61 Å. Ce3+ is bonded to six equivalent N3- atoms to form CeN6 octahedra that share corners with six equivalent NdN6 octahedra, edges with six equivalent NdN6 octahedra, and edges with six equivalent CeN6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Ce–N bond lengths are 2.49 Å. N3- is bonded to three equivalent Nd3+ and three equivalent Ce3+ atoms to form a mixture of edge and corner-sharing NCe3Nd3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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