Materials Data on CeUCN by Materials Project

Abstract

UCeCN is alpha Po-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. U4+ is bonded to four equivalent C4- and two equivalent N3- atoms to form UC4N2 octahedra that share corners with six equivalent UC4N2 octahedra, edges with four equivalent UC4N2 octahedra, and edges with eight equivalent CeC2N4 octahedra. The corner-sharing octahedral tilt angles are 0°. All U–C bond lengths are 2.48 Å. Both U–N bond lengths are 2.52 Å. Ce3+ is bonded to two equivalent C4- and four equivalent N3- atoms to form CeC2N4 octahedra that share corners with six equivalent CeC2N4 octahedra, edges with four equivalent CeC2N4 octahedra, and edges with eight equivalent UC4N2 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Ce–C bond lengths are 2.52 Å. All Ce–N bond lengths are 2.48 Å. C4- is bonded to four equivalent U4+ and two equivalent Ce3+ atoms to form CCe2U4 octahedra that share corners with six equivalent CCe2U4 octahedra, edges with four equivalent CCe2U4 octahedra, and edges with eight equivalent NCe4U2 octahedra. The corner-sharing octahedral tilt angles are 0°. N3- is bonded to two equivalent U4+ and four equivalent Ce3+ atoms to form NCe4U2 octahedra that share corners with six equivalent NCe4U2 octahedra, edges with four equivalent NCe4U2 octahedra, and edges with eight equivalent CCe2U4 octahedra. The corner-sharing octahedral tilt angles are 0°.