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DOE OSTI · 1717314

Materials Data on Th2CN by Materials Project

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Abstract

Th2CN is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Th is bonded to three equivalent C and three equivalent N atoms to form a mixture of edge and corner-sharing ThC3N3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Th–C bond lengths are 2.65 Å. All Th–N bond lengths are 2.64 Å. C is bonded to six equivalent Th atoms to form CTh6 octahedra that share corners with six equivalent NTh6 octahedra, edges with six equivalent CTh6 octahedra, and edges with six equivalent NTh6 octahedra. The corner-sharing octahedral tilt angles are 0°. N is bonded to six equivalent Th atoms to form NTh6 octahedra that share corners with six equivalent CTh6 octahedra, edges with six equivalent CTh6 octahedra, and edges with six equivalent NTh6 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEC-N-Thcrystal structureTh2CN

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2020-05-02. Materials Data on Th2CN by Materials Project. https://doi.org/10.17188/1717314

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