Materials Data on GdUN2 by Materials Project

Abstract

UGdN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. U3+ is bonded to six equivalent N3- atoms to form UN6 octahedra that share corners with six equivalent GdN6 octahedra, edges with six equivalent UN6 octahedra, and edges with six equivalent GdN6 octahedra. The corner-sharing octahedral tilt angles are 5°. All U–N bond lengths are 2.39 Å. Gd3+ is bonded to six equivalent N3- atoms to form GdN6 octahedra that share corners with six equivalent UN6 octahedra, edges with six equivalent UN6 octahedra, and edges with six equivalent GdN6 octahedra. The corner-sharing octahedral tilt angles are 5°. All Gd–N bond lengths are 2.53 Å. N3- is bonded to three equivalent U3+ and three equivalent Gd3+ atoms to form a mixture of corner and edge-sharing NGd3U3 octahedra. The corner-sharing octahedral tilt angles are 0°.