Materials Data on MnNiSb2 by Materials Project

Abstract

MnNiSb2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Mn2+ is bonded to six equivalent Sb2- atoms to form MnSb6 octahedra that share corners with twelve equivalent NiSb6 octahedra, edges with six equivalent MnSb6 octahedra, and faces with two equivalent NiSb6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Mn–Sb bond lengths are 2.73 Å. Ni2+ is bonded to six equivalent Sb2- atoms to form NiSb6 octahedra that share corners with twelve equivalent MnSb6 octahedra, edges with six equivalent NiSb6 octahedra, and faces with two equivalent MnSb6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Ni–Sb bond lengths are 2.64 Å. Sb2- is bonded in a 6-coordinate geometry to three equivalent Mn2+ and three equivalent Ni2+ atoms.