Materials Data on Nb(Te2I3)2 by Materials Project
Nb(TeI3)2(Te)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four tellurium molecules and two Nb(TeI3)2 clusters. In each Nb(TeI3)2 cluster, Nb2+ is bonded in an L-shaped geometry to two I1- atoms. There are one shorter (2.99 Å) and one longer (3.00 Å) Nb–I bond lengths. There are two inequivalent Te1+ sites. In the first Te1+ site, Te1+ is bonded in a rectangular see-saw-like geometry to four I1- atoms. There are a spread of Te–I bond distances ranging from 2.81–3.20 Å. In the second Te1+ site, Te1+ is bonded in a rectangular see-saw-like geometry to four I1- atoms. There are a spread of Te–I bond distances ranging from 2.81–3.18 Å. There are six inequivalent I1- sites. In the first I1- site, I1- is bonded in a 3-coordinate geometry to one Nb2+ and two Te1+ atoms. In the second I1- site, I1- is bonded in a single-bond geometry to one Te1+ atom. In the third I1- site, I1- is bonded in a single-bond geometry to one Te1+ atom. In the fourth I1- site, I1- is bonded in a single-bond geometry to one Te1+ atom. In the fifth I1- site, I1- is bonded in a single-bond geometry to one Te1+ atom. In the sixth I1- site, I1- is bonded in a 3-coordinate geometry to one Nb2+ and two Te1+ atoms.