Materials Data on CoNiTe2 by Materials Project

Abstract

CoNiTe2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Co2+ is bonded to six equivalent Te2- atoms to form CoTe6 octahedra that share corners with twelve equivalent NiTe6 octahedra, edges with six equivalent CoTe6 octahedra, and faces with two equivalent NiTe6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Co–Te bond lengths are 2.61 Å. Ni2+ is bonded to six equivalent Te2- atoms to form NiTe6 octahedra that share corners with twelve equivalent CoTe6 octahedra, edges with six equivalent NiTe6 octahedra, and faces with two equivalent CoTe6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Ni–Te bond lengths are 2.66 Å. Te2- is bonded in a 6-coordinate geometry to three equivalent Co2+ and three equivalent Ni2+ atoms.