Materials Data on DyThN2 by Materials Project

Abstract

ThDyN2 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 DyN6 octahedra, edges with six equivalent ThN6 octahedra, and edges with six equivalent DyN6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Th–N bond lengths are 2.54 Å. Dy is bonded to six equivalent N atoms to form DyN6 octahedra that share corners with six equivalent ThN6 octahedra, edges with six equivalent ThN6 octahedra, and edges with six equivalent DyN6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Dy–N bond lengths are 2.52 Å. N is bonded to three equivalent Th and three equivalent Dy atoms to form a mixture of edge and corner-sharing NDy3Th3 octahedra. The corner-sharing octahedral tilt angles are 0°.