Materials Data on MnVS2 by Materials Project

Abstract

VMnS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. V2+ is bonded to six equivalent S2- atoms to form VS6 octahedra that share corners with six equivalent MnS6 octahedra, edges with six equivalent VS6 octahedra, and edges with six equivalent MnS6 octahedra. The corner-sharing octahedral tilt angles are 2°. All V–S bond lengths are 2.51 Å. Mn2+ is bonded to six equivalent S2- atoms to form MnS6 octahedra that share corners with six equivalent VS6 octahedra, edges with six equivalent VS6 octahedra, and edges with six equivalent MnS6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Mn–S bond lengths are 2.58 Å. S2- is bonded to three equivalent V2+ and three equivalent Mn2+ atoms to form a mixture of edge and corner-sharing SMn3V3 octahedra. The corner-sharing octahedral tilt angles are 0°.