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DOE OSTI · 1717264

Materials Data on TaWC2 by Materials Project

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Abstract

TaWC2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ta5+ is bonded to six equivalent C4- atoms to form TaC6 octahedra that share corners with six equivalent WC6 octahedra, edges with six equivalent TaC6 octahedra, and edges with six equivalent WC6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Ta–C bond lengths are 2.23 Å. W3+ is bonded to six equivalent C4- atoms to form WC6 octahedra that share corners with six equivalent TaC6 octahedra, edges with six equivalent TaC6 octahedra, and edges with six equivalent WC6 octahedra. The corner-sharing octahedral tilt angles are 1°. All W–C bond lengths are 2.21 Å. C4- is bonded to three equivalent Ta5+ and three equivalent W3+ atoms to form a mixture of edge and corner-sharing CTa3W3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEC-Ta-Wcrystal structureTaWC2

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2020-05-02. Materials Data on TaWC2 by Materials Project. https://doi.org/10.17188/1717264

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