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DOE OSTI2020

Materials Data on ThCN by Materials Project

NCTh crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Th4+ is bonded in a 7-coordinate geometry to three equivalent C2- and four equivalent N2- atoms. There are two shorter (2.82 Å) and one longer (2.85 Å) Th–C bond lengths. There are a spread of Th–N bond distances ranging from 2.36–2.39 Å. C2- is bonded in a rectangular see-saw-like geometry to three equivalent Th4+ and one C2- atom. The C–C bond length is 1.26 Å. N2- is bonded to four equivalent Th4+ atoms to form a mixture of edge and corner-sharing NTh4 tetrahedra.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Th2CN by Materials Project

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°.

36 MATERIALS SCIENCE↗