Materials Data on U2AsN2 by Materials Project

Abstract

U2AsN2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. U+4.50+ is bonded in a 4-coordinate geometry to three equivalent As3- and four equivalent N3- atoms. All U–As bond lengths are 2.95 Å. There are one shorter (2.27 Å) and three longer (2.28 Å) U–N bond lengths. As3- is bonded to six equivalent U+4.50+ atoms to form AsU6 octahedra that share corners with twelve equivalent NU4 tetrahedra, edges with six equivalent AsU6 octahedra, and edges with six equivalent NU4 tetrahedra. N3- is bonded to four equivalent U+4.50+ atoms to form NU4 tetrahedra that share corners with six equivalent AsU6 octahedra, corners with six equivalent NU4 tetrahedra, edges with three equivalent AsU6 octahedra, and edges with three equivalent NU4 tetrahedra. The corner-sharing octahedra tilt angles range from 27–48°.