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DOE OSTI · 1732408

Materials Data on LaThN2 by Materials Project

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Abstract

ThLaN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Th4+ is bonded to six equivalent N3- atoms to form ThN6 octahedra that share corners with six equivalent LaN6 octahedra, edges with six equivalent ThN6 octahedra, and edges with six equivalent LaN6 octahedra. The corner-sharing octahedral tilt angles are 5°. All Th–N bond lengths are 2.54 Å. La2+ is bonded to six equivalent N3- atoms to form LaN6 octahedra that share corners with six equivalent ThN6 octahedra, edges with six equivalent ThN6 octahedra, and edges with six equivalent LaN6 octahedra. The corner-sharing octahedral tilt angles are 5°. All La–N bond lengths are 2.71 Å. N3- is bonded to three equivalent Th4+ and three equivalent La2+ atoms to form a mixture of edge and corner-sharing NLa3Th3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureLa-N-ThLaThN2

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2020-05-02. Materials Data on LaThN2 by Materials Project. https://doi.org/10.17188/1732408

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