Materials Data on SmThCN by Materials Project
ThSmCN is alpha Po-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Th4+ is bonded to three equivalent C4- and three equivalent N3- atoms to form ThC3N3 octahedra that share corners with six equivalent SmC3N3 octahedra, edges with six equivalent ThC3N3 octahedra, and edges with six equivalent SmC3N3 octahedra. The corner-sharing octahedral tilt angles are 2°. All Th–C bond lengths are 2.59 Å. All Th–N bond lengths are 2.59 Å. Sm3+ is bonded to three equivalent C4- and three equivalent N3- atoms to form SmC3N3 octahedra that share corners with six equivalent ThC3N3 octahedra, edges with six equivalent ThC3N3 octahedra, and edges with six equivalent SmC3N3 octahedra. The corner-sharing octahedral tilt angles are 2°. All Sm–C bond lengths are 2.66 Å. All Sm–N bond lengths are 2.65 Å. C4- is bonded to three equivalent Th4+ and three equivalent Sm3+ atoms to form CSm3Th3 octahedra that share corners with six equivalent NSm3Th3 octahedra, edges with six equivalent CSm3Th3 octahedra, and edges with six equivalent NSm3Th3 octahedra. The corner-sharing octahedral tilt angles are 0°. N3- is bonded to three equivalent Th4+ and three equivalent Sm3+ atoms to form NSm3Th3 octahedra that share corners with six equivalent CSm3Th3 octahedra, edges with six equivalent CSm3Th3 octahedra, and edges with six equivalent NSm3Th3 octahedra. The corner-sharing octahedral tilt angles are 0°.