Materials Data on Nb2Te3 by Materials Project
Nb2Te3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Nb3+ sites. In the first Nb3+ site, Nb3+ is bonded to six Te2- atoms to form a mixture of distorted face, edge, and corner-sharing NbTe6 octahedra. The corner-sharing octahedra tilt angles range from 40–57°. There are a spread of Nb–Te bond distances ranging from 2.77–3.25 Å. In the second Nb3+ site, Nb3+ is bonded to six Te2- atoms to form a mixture of face, edge, and corner-sharing NbTe6 octahedra. The corner-sharing octahedra tilt angles range from 40–57°. There are a spread of Nb–Te bond distances ranging from 2.81–2.94 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to four Nb3+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to four Nb3+ atoms. In the third Te2- site, Te2- is bonded in a 4-coordinate geometry to four Nb3+ atoms.