Materials Data on Nb3TeCl7 by Materials Project
Nb3TeCl7 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of two Nb3TeCl7 sheets oriented in the (0, 0, 1) direction. Nb3+ is bonded to one Te2- and five Cl1- atoms to form distorted edge-sharing NbTeCl5 octahedra. The Nb–Te bond length is 2.73 Å. There are a spread of Nb–Cl bond distances ranging from 2.44–2.72 Å. Te2- is bonded in a 12-coordinate geometry to three equivalent Nb3+ atoms. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Nb3+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Nb3+ atoms. In the third Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three equivalent Nb3+ atoms.