Materials Data on U2SN2 by Materials Project

Abstract

U2N2S crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. U4+ is bonded in a 7-coordinate geometry to four equivalent N3- and three equivalent S2- atoms. All U–N bond lengths are 2.27 Å. All U–S bond lengths are 2.88 Å. N3- is bonded to four equivalent U4+ atoms to form NU4 tetrahedra that share corners with six equivalent SU6 octahedra, corners with six equivalent NU4 tetrahedra, edges with three equivalent SU6 octahedra, and edges with three equivalent NU4 tetrahedra. The corner-sharing octahedra tilt angles range from 26–50°. S2- is bonded to six equivalent U4+ atoms to form distorted SU6 octahedra that share corners with twelve equivalent NU4 tetrahedra, edges with six equivalent SU6 octahedra, and edges with six equivalent NU4 tetrahedra.