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Title: Materials Data on TeI4 by Materials Project

Abstract

TeI4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four TeI4 clusters. there are four inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded to six I1- atoms to form edge-sharing TeI6 octahedra. There are a spread of Te–I bond distances ranging from 2.80–3.29 Å. In the second Te4+ site, Te4+ is bonded to six I1- atoms to form edge-sharing TeI6 octahedra. There are a spread of Te–I bond distances ranging from 2.79–3.27 Å. In the third Te4+ site, Te4+ is bonded to six I1- atoms to form edge-sharing TeI6 octahedra. There are a spread of Te–I bond distances ranging from 2.79–3.32 Å. In the fourth Te4+ site, Te4+ is bonded to six I1- atoms to form edge-sharing TeI6 octahedra. There are a spread of Te–I bond distances ranging from 2.81–3.25 Å. There are sixteen inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one Te4+ atom. In the second I1- site, I1- is bonded in a 3-coordinate geometry to three Te4+ atoms. In the third I1- site, I1- is bonded in a single-bond geometry to one Te4+ atom. In the fourth I1- site, I1-more » is bonded in a single-bond geometry to one Te4+ atom. In the fifth I1- site, I1- is bonded in a 3-coordinate geometry to three Te4+ atoms. In the sixth I1- site, I1- is bonded in a water-like geometry to two Te4+ atoms. In the seventh I1- site, I1- is bonded in a distorted water-like geometry to two Te4+ atoms. In the eighth I1- site, I1- is bonded in a single-bond geometry to one Te4+ atom. In the ninth I1- site, I1- is bonded in a single-bond geometry to one Te4+ atom. In the tenth I1- site, I1- is bonded in a single-bond geometry to one Te4+ atom. In the eleventh I1- site, I1- is bonded in a single-bond geometry to one Te4+ atom. In the twelfth I1- site, I1- is bonded in a distorted L-shaped geometry to two Te4+ atoms. In the thirteenth I1- site, I1- is bonded in a single-bond geometry to one Te4+ atom. In the fourteenth I1- site, I1- is bonded in a single-bond geometry to one Te4+ atom. In the fifteenth I1- site, I1- is bonded in a water-like geometry to two Te4+ atoms. In the sixteenth I1- site, I1- is bonded in a single-bond geometry to one Te4+ atom.« less

Publication Date:
Other Number(s):
mp-651155
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; TeI4; I-Te
OSTI Identifier:
1281044
DOI:
10.17188/1281044

Citation Formats

The Materials Project. Materials Data on TeI4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281044.
The Materials Project. Materials Data on TeI4 by Materials Project. United States. doi:10.17188/1281044.
The Materials Project. 2020. "Materials Data on TeI4 by Materials Project". United States. doi:10.17188/1281044. https://www.osti.gov/servlets/purl/1281044. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1281044,
title = {Materials Data on TeI4 by Materials Project},
author = {The Materials Project},
abstractNote = {TeI4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four TeI4 clusters. there are four inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded to six I1- atoms to form edge-sharing TeI6 octahedra. There are a spread of Te–I bond distances ranging from 2.80–3.29 Å. In the second Te4+ site, Te4+ is bonded to six I1- atoms to form edge-sharing TeI6 octahedra. There are a spread of Te–I bond distances ranging from 2.79–3.27 Å. In the third Te4+ site, Te4+ is bonded to six I1- atoms to form edge-sharing TeI6 octahedra. There are a spread of Te–I bond distances ranging from 2.79–3.32 Å. In the fourth Te4+ site, Te4+ is bonded to six I1- atoms to form edge-sharing TeI6 octahedra. There are a spread of Te–I bond distances ranging from 2.81–3.25 Å. There are sixteen inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one Te4+ atom. In the second I1- site, I1- is bonded in a 3-coordinate geometry to three Te4+ atoms. In the third I1- site, I1- is bonded in a single-bond geometry to one Te4+ atom. In the fourth I1- site, I1- is bonded in a single-bond geometry to one Te4+ atom. In the fifth I1- site, I1- is bonded in a 3-coordinate geometry to three Te4+ atoms. In the sixth I1- site, I1- is bonded in a water-like geometry to two Te4+ atoms. In the seventh I1- site, I1- is bonded in a distorted water-like geometry to two Te4+ atoms. In the eighth I1- site, I1- is bonded in a single-bond geometry to one Te4+ atom. In the ninth I1- site, I1- is bonded in a single-bond geometry to one Te4+ atom. In the tenth I1- site, I1- is bonded in a single-bond geometry to one Te4+ atom. In the eleventh I1- site, I1- is bonded in a single-bond geometry to one Te4+ atom. In the twelfth I1- site, I1- is bonded in a distorted L-shaped geometry to two Te4+ atoms. In the thirteenth I1- site, I1- is bonded in a single-bond geometry to one Te4+ atom. In the fourteenth I1- site, I1- is bonded in a single-bond geometry to one Te4+ atom. In the fifteenth I1- site, I1- is bonded in a water-like geometry to two Te4+ atoms. In the sixteenth I1- site, I1- is bonded in a single-bond geometry to one Te4+ atom.},
doi = {10.17188/1281044},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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