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Title: Materials Data on Te7RuI6 by Materials Project

Abstract

Ru(Te)2Te5I6 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two ruthenium molecules, four tellurium molecules, and one Te5I6 cluster. In the Te5I6 cluster, there are five inequivalent Te+0.57+ sites. In the first Te+0.57+ site, Te+0.57+ is bonded in a distorted bent 120 degrees geometry to two I1- atoms. There are one shorter (3.43 Å) and one longer (3.68 Å) Te–I bond lengths. In the second Te+0.57+ site, Te+0.57+ is bonded in a bent 120 degrees geometry to two I1- atoms. There are one shorter (3.50 Å) and one longer (3.56 Å) Te–I bond lengths. In the third Te+0.57+ site, Te+0.57+ is bonded in a 1-coordinate geometry to one I1- atom. The Te–I bond length is 3.58 Å. In the fourth Te+0.57+ site, Te+0.57+ is bonded in a rectangular see-saw-like geometry to four I1- atoms. There are a spread of Te–I bond distances ranging from 2.97–3.17 Å. In the fifth Te+0.57+ site, Te+0.57+ is bonded in a rectangular see-saw-like geometry to four I1- atoms. There are a spread of Te–I bond distances ranging from 2.93–3.32 Å. There are six inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted water-like geometrymore » to two Te+0.57+ atoms. In the second I1- site, I1- is bonded in a 1-coordinate geometry to two Te+0.57+ atoms. In the third I1- site, I1- is bonded in a 2-coordinate geometry to two Te+0.57+ atoms. In the fourth I1- site, I1- is bonded in a 2-coordinate geometry to three Te+0.57+ atoms. In the fifth I1- site, I1- is bonded in a single-bond geometry to two Te+0.57+ atoms. In the sixth I1- site, I1- is bonded in a 1-coordinate geometry to two Te+0.57+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1192722
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Te7RuI6; I-Ru-Te
OSTI Identifier:
1711609
DOI:
https://doi.org/10.17188/1711609

Citation Formats

The Materials Project. Materials Data on Te7RuI6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1711609.
The Materials Project. Materials Data on Te7RuI6 by Materials Project. United States. doi:https://doi.org/10.17188/1711609
The Materials Project. 2020. "Materials Data on Te7RuI6 by Materials Project". United States. doi:https://doi.org/10.17188/1711609. https://www.osti.gov/servlets/purl/1711609. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1711609,
title = {Materials Data on Te7RuI6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ru(Te)2Te5I6 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two ruthenium molecules, four tellurium molecules, and one Te5I6 cluster. In the Te5I6 cluster, there are five inequivalent Te+0.57+ sites. In the first Te+0.57+ site, Te+0.57+ is bonded in a distorted bent 120 degrees geometry to two I1- atoms. There are one shorter (3.43 Å) and one longer (3.68 Å) Te–I bond lengths. In the second Te+0.57+ site, Te+0.57+ is bonded in a bent 120 degrees geometry to two I1- atoms. There are one shorter (3.50 Å) and one longer (3.56 Å) Te–I bond lengths. In the third Te+0.57+ site, Te+0.57+ is bonded in a 1-coordinate geometry to one I1- atom. The Te–I bond length is 3.58 Å. In the fourth Te+0.57+ site, Te+0.57+ is bonded in a rectangular see-saw-like geometry to four I1- atoms. There are a spread of Te–I bond distances ranging from 2.97–3.17 Å. In the fifth Te+0.57+ site, Te+0.57+ is bonded in a rectangular see-saw-like geometry to four I1- atoms. There are a spread of Te–I bond distances ranging from 2.93–3.32 Å. There are six inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted water-like geometry to two Te+0.57+ atoms. In the second I1- site, I1- is bonded in a 1-coordinate geometry to two Te+0.57+ atoms. In the third I1- site, I1- is bonded in a 2-coordinate geometry to two Te+0.57+ atoms. In the fourth I1- site, I1- is bonded in a 2-coordinate geometry to three Te+0.57+ atoms. In the fifth I1- site, I1- is bonded in a single-bond geometry to two Te+0.57+ atoms. In the sixth I1- site, I1- is bonded in a 1-coordinate geometry to two Te+0.57+ atoms.},
doi = {10.17188/1711609},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}