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DOE OSTI · 1654475

Materials Data on ThUC2 by Materials Project

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Abstract

UThC2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. U4+ is bonded to six equivalent C4- atoms to form UC6 octahedra that share corners with six equivalent ThC6 octahedra, edges with six equivalent UC6 octahedra, and edges with six equivalent ThC6 octahedra. The corner-sharing octahedral tilt angles are 10°. All U–C bond lengths are 2.41 Å. Th4+ is bonded to six equivalent C4- atoms to form ThC6 octahedra that share corners with six equivalent UC6 octahedra, edges with six equivalent UC6 octahedra, and edges with six equivalent ThC6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Th–C bond lengths are 2.74 Å. C4- is bonded to three equivalent U4+ and three equivalent Th4+ atoms to form a mixture of edge and corner-sharing CTh3U3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEC-Th-Ucrystal structureThUC2

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2020-07-23. Materials Data on ThUC2 by Materials Project. https://doi.org/10.17188/1654475

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