Materials Data on V2FeTe4 by Materials Project

Abstract

FeV2Te4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. V+2.50+ is bonded to six Te2- atoms to form VTe6 octahedra that share corners with six equivalent FeTe6 octahedra, edges with six equivalent VTe6 octahedra, and a faceface with one FeTe6 octahedra. The corner-sharing octahedra tilt angles range from 50–56°. There are a spread of V–Te bond distances ranging from 2.65–2.92 Å. Fe3+ is bonded to six Te2- atoms to form FeTe6 octahedra that share corners with twelve equivalent VTe6 octahedra, edges with two equivalent FeTe6 octahedra, and faces with two equivalent VTe6 octahedra. The corner-sharing octahedra tilt angles range from 50–56°. There are two shorter (2.65 Å) and four longer (2.79 Å) Fe–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 5-coordinate geometry to three equivalent V+2.50+ and two equivalent Fe3+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to three equivalent V+2.50+ and one Fe3+ atom.