Materials Data on V3S4 by Materials Project

V3S4 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. V+2.67+ is bonded to six S2- atoms to form a mixture of edge, face, and corner-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 44–53°. There are a spread of V–S bond distances ranging from 2.33–2.51 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to four equivalent V+2.67+ atoms. In the second S2- site, S2- is bonded to six equivalent V+2.67+ atoms to form distorted face-sharing SV6 pentagonal pyramids.