Materials Data on U2CN by Materials Project

Abstract

U2CN is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. U+3.50+ is bonded to three equivalent C4- and three equivalent N3- atoms to form a mixture of edge and corner-sharing UC3N3 octahedra. The corner-sharing octahedral tilt angles are 0°. All U–C bond lengths are 2.47 Å. All U–N bond lengths are 2.45 Å. C4- is bonded to six equivalent U+3.50+ atoms to form CU6 octahedra that share corners with six equivalent NU6 octahedra, edges with six equivalent CU6 octahedra, and edges with six equivalent NU6 octahedra. The corner-sharing octahedral tilt angles are 1°. N3- is bonded to six equivalent U+3.50+ atoms to form NU6 octahedra that share corners with six equivalent CU6 octahedra, edges with six equivalent CU6 octahedra, and edges with six equivalent NU6 octahedra. The corner-sharing octahedral tilt angles are 1°.