Materials Data on V3Te4 by Materials Project

Abstract

V3Te4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent V+2.67+ sites. In the first V+2.67+ site, V+2.67+ is bonded to six Te2- atoms to form a mixture of edge, face, and corner-sharing VTe6 octahedra. The corner-sharing octahedra tilt angles range from 52–54°. There are a spread of V–Te bond distances ranging from 2.71–2.88 Å. In the second V+2.67+ site, V+2.67+ is bonded to six Te2- atoms to form a mixture of edge, face, and corner-sharing VTe6 octahedra. The corner-sharing octahedra tilt angles range from 52–54°. There are two shorter (2.76 Å) and four longer (2.81 Å) V–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a distorted rectangular see-saw-like geometry to four V+2.67+ atoms. In the second Te2- site, Te2- is bonded in a 5-coordinate geometry to five V+2.67+ atoms.