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DOE OSTI · 1663629

Materials Data on CeThN2 by Materials Project

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Abstract

ThCeN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Th is bonded to six equivalent N atoms to form ThN6 octahedra that share corners with six equivalent CeN6 octahedra, edges with six equivalent ThN6 octahedra, and edges with six equivalent CeN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Th–N bond lengths are 2.57 Å. Ce is bonded to six equivalent N atoms to form CeN6 octahedra that share corners with six equivalent ThN6 octahedra, edges with six equivalent ThN6 octahedra, and edges with six equivalent CeN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ce–N bond lengths are 2.55 Å. N is bonded to three equivalent Th and three equivalent Ce atoms to form a mixture of corner and edge-sharing NCe3Th3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCECe-N-ThCeThN2crystal structure

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2020-07-23. Materials Data on CeThN2 by Materials Project. https://doi.org/10.17188/1663629

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