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DOE OSTI · 1706769

Materials Data on UTaC2 by Materials Project

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Abstract

UTaC2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. U3+ is bonded to six equivalent C4- atoms to form UC6 octahedra that share corners with six equivalent TaC6 octahedra, edges with six equivalent UC6 octahedra, and edges with six equivalent TaC6 octahedra. The corner-sharing octahedral tilt angles are 5°. All U–C bond lengths are 2.43 Å. Ta5+ is bonded to six equivalent C4- atoms to form TaC6 octahedra that share corners with six equivalent UC6 octahedra, edges with six equivalent UC6 octahedra, and edges with six equivalent TaC6 octahedra. The corner-sharing octahedral tilt angles are 5°. All Ta–C bond lengths are 2.27 Å. C4- is bonded to three equivalent U3+ and three equivalent Ta5+ atoms to form a mixture of edge and corner-sharing CU3Ta3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEC-Ta-Ucrystal structureUTaC2

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2020-05-02. Materials Data on UTaC2 by Materials Project. https://doi.org/10.17188/1706769

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