Materials Data on U2SeN2 by Materials Project

Abstract

U2N2Se crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. U4+ is bonded in a 4-coordinate geometry to four equivalent N3- and three equivalent Se2- atoms. There are one shorter (2.27 Å) and three longer (2.28 Å) U–N bond lengths. All U–Se bond lengths are 3.00 Å. N3- is bonded to four equivalent U4+ atoms to form NU4 tetrahedra that share corners with six equivalent SeU6 octahedra, corners with six equivalent NU4 tetrahedra, edges with three equivalent SeU6 octahedra, and edges with three equivalent NU4 tetrahedra. The corner-sharing octahedra tilt angles range from 29–48°. Se2- is bonded to six equivalent U4+ atoms to form distorted SeU6 octahedra that share corners with twelve equivalent NU4 tetrahedra, edges with six equivalent SeU6 octahedra, and edges with six equivalent NU4 tetrahedra.