Materials Data on V3Ag2TeS6 by Materials Project

V3Ag2TeS6 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. V4+ is bonded to six S2- atoms to form distorted VS6 pentagonal pyramids that share corners with two equivalent TeAg6S2 hexagonal bipyramids and edges with six equivalent VS6 pentagonal pyramids. All V–S bond lengths are 2.35 Å. Ag1+ is bonded in a distorted linear geometry to three equivalent Te2- and two equivalent S2- atoms. All Ag–Te bond lengths are 3.20 Å. Both Ag–S bond lengths are 2.57 Å. Te2- is bonded to six equivalent Ag1+ and two equivalent S2- atoms to form distorted TeAg6S2 hexagonal bipyramids that share corners with six equivalent VS6 pentagonal pyramids and edges with six equivalent TeAg6S2 hexagonal bipyramids. Both Te–S bond lengths are 2.66 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent V4+ and one Ag1+ atom. In the second S2- site, S2- is bonded in a rectangular see-saw-like geometry to three equivalent V4+ and one Te2- atom.