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DOE OSTI · 1665049

Materials Data on LaNdN2 by Materials Project

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Abstract

NdLaN2 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 LaN6 octahedra, edges with six equivalent NdN6 octahedra, and edges with six equivalent LaN6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Nd–N bond lengths are 2.61 Å. La3+ is bonded to six equivalent N3- atoms to form LaN6 octahedra that share corners with six equivalent NdN6 octahedra, edges with six equivalent NdN6 octahedra, and edges with six equivalent LaN6 octahedra. The corner-sharing octahedral tilt angles are 1°. All La–N bond lengths are 2.63 Å. N3- is bonded to three equivalent Nd3+ and three equivalent La3+ atoms to form a mixture of corner and edge-sharing NLa3Nd3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureLa-N-NdLaNdN2

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2020-07-20. Materials Data on LaNdN2 by Materials Project. https://doi.org/10.17188/1665049

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