Materials Data on GdThN2 by Materials Project

Abstract

ThGdN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Th is bonded to six equivalent N atoms to form ThN6 octahedra that share corners with six equivalent GdN6 octahedra, edges with six equivalent ThN6 octahedra, and edges with six equivalent GdN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Th–N bond lengths are 2.55 Å. Gd is bonded to six equivalent N atoms to form GdN6 octahedra that share corners with six equivalent ThN6 octahedra, edges with six equivalent ThN6 octahedra, and edges with six equivalent GdN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Gd–N bond lengths are 2.55 Å. N is bonded to three equivalent Th and three equivalent Gd atoms to form a mixture of edge and corner-sharing NGd3Th3 octahedra. The corner-sharing octahedral tilt angles are 0°.