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DOE OSTI · 1187313

Materials Data on ThC2 by Materials Project

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Abstract

ThC2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Th4+ is bonded to six equivalent C2- atoms to form ThC6 octahedra that share corners with twelve equivalent ThC6 octahedra and corners with six equivalent CTh3C tetrahedra. The corner-sharing octahedral tilt angles are 74°. All Th–C bond lengths are 2.57 Å. C2- is bonded to three equivalent Th4+ and one C2- atom to form CTh3C tetrahedra that share corners with three equivalent ThC6 octahedra and corners with fifteen equivalent CTh3C tetrahedra. The corner-sharing octahedral tilt angles are 67°. The C–C bond length is 1.35 Å.

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36 MATERIALS SCIENCEC-Thcrystal structureThC2

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2020-05-03. Materials Data on ThC2 by Materials Project. https://doi.org/10.17188/1187313

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