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Title: Materials Data on Nb(Te2I3)2 by Materials Project

Abstract

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 geometrymore » to one Te1+ atom. In the sixth I1- site, I1- is bonded in a 3-coordinate geometry to one Nb2+ and two Te1+ atoms.« less

Publication Date:
Other Number(s):
mp-570873
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Nb(Te2I3)2; I-Nb-Te
OSTI Identifier:
1275953
DOI:
10.17188/1275953

Citation Formats

The Materials Project. Materials Data on Nb(Te2I3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275953.
The Materials Project. Materials Data on Nb(Te2I3)2 by Materials Project. United States. doi:10.17188/1275953.
The Materials Project. 2020. "Materials Data on Nb(Te2I3)2 by Materials Project". United States. doi:10.17188/1275953. https://www.osti.gov/servlets/purl/1275953. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1275953,
title = {Materials Data on Nb(Te2I3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1275953},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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