Materials Data on V2CoS4 by Materials Project

Abstract

V2CoS4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. V3+ is bonded to six S2- atoms to form VS6 octahedra that share corners with six equivalent CoS6 octahedra, edges with six equivalent VS6 octahedra, and a faceface with one CoS6 octahedra. The corner-sharing octahedra tilt angles range from 53–54°. There are a spread of V–S bond distances ranging from 2.29–2.49 Å. Co2+ is bonded to six S2- atoms to form CoS6 octahedra that share corners with twelve equivalent VS6 octahedra, edges with two equivalent CoS6 octahedra, and faces with two equivalent VS6 octahedra. The corner-sharing octahedra tilt angles range from 53–54°. There are two shorter (2.29 Å) and four longer (2.32 Å) Co–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent V3+ and one Co2+ atom. In the second S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent V3+ and two equivalent Co2+ atoms.