Materials Data on V5Te8 by Materials Project
V5Te8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent V+3.20+ sites. In the first V+3.20+ site, V+3.20+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing VTe6 octahedra. The corner-sharing octahedra tilt angles range from 53–56°. There are a spread of V–Te bond distances ranging from 2.68–2.86 Å. In the second V+3.20+ site, V+3.20+ is bonded to six Te2- atoms to form a mixture of face, edge, and corner-sharing VTe6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are a spread of V–Te bond distances ranging from 2.65–2.82 Å. In the third V+3.20+ site, V+3.20+ is bonded to six Te2- atoms to form a mixture of face and corner-sharing VTe6 octahedra. The corner-sharing octahedra tilt angles range from 53–56°. All V–Te bond lengths are 2.77 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three V+3.20+ atoms. In the second Te2- site, Te2- is bonded to four V+3.20+ atoms to form a mixture of distorted edge and corner-sharing TeV4 trigonal pyramids. In the third Te2- site, Te2- is bonded to four V+3.20+ atoms to form a mixture of distorted edge and corner-sharing TeV4 trigonal pyramids.