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Title: Materials Data on Te6RuBr8 by Materials Project

Abstract

RuTeTe5Br8 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four ruthenium molecules, four tellurium molecules, and four Te5Br8 clusters. In each Te5Br8 cluster, there are five inequivalent Te1+ sites. In the first Te1+ site, Te1+ is bonded in a single-bond geometry to one Br1- atom. The Te–Br bond length is 3.16 Å. In the second Te1+ site, Te1+ is bonded in a single-bond geometry to one Br1- atom. The Te–Br bond length is 3.04 Å. In the third Te1+ site, Te1+ is bonded in a rectangular see-saw-like geometry to four Br1- atoms. There are a spread of Te–Br bond distances ranging from 2.59–3.05 Å. In the fourth Te1+ site, Te1+ is bonded in a distorted rectangular see-saw-like geometry to four Br1- atoms. There are a spread of Te–Br bond distances ranging from 2.56–3.34 Å. In the fifth Te1+ site, Te1+ is bonded in a T-shaped geometry to three Br1- atoms. There are a spread of Te–Br bond distances ranging from 2.59–2.78 Å. There are eight inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Te1+ atom. In the second Br1- site, Br1- is bonded in anmore » L-shaped geometry to two Te1+ atoms. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Te1+ atom. In the fourth Br1- site, Br1- is bonded in a distorted L-shaped geometry to two Te1+ atoms. In the fifth Br1- site, Br1- is bonded in a distorted single-bond geometry to two Te1+ atoms. In the sixth Br1- site, Br1- is bonded in a single-bond geometry to one Te1+ atom. In the seventh Br1- site, Br1- is bonded in a 2-coordinate geometry to two Te1+ atoms. In the eighth Br1- site, Br1- is bonded in a 2-coordinate geometry to two Te1+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1198778
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; Te6RuBr8; Br-Ru-Te
OSTI Identifier:
1758056
DOI:
https://doi.org/10.17188/1758056

Citation Formats

The Materials Project. Materials Data on Te6RuBr8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758056.
The Materials Project. Materials Data on Te6RuBr8 by Materials Project. United States. doi:https://doi.org/10.17188/1758056
The Materials Project. 2020. "Materials Data on Te6RuBr8 by Materials Project". United States. doi:https://doi.org/10.17188/1758056. https://www.osti.gov/servlets/purl/1758056. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758056,
title = {Materials Data on Te6RuBr8 by Materials Project},
author = {The Materials Project},
abstractNote = {RuTeTe5Br8 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four ruthenium molecules, four tellurium molecules, and four Te5Br8 clusters. In each Te5Br8 cluster, there are five inequivalent Te1+ sites. In the first Te1+ site, Te1+ is bonded in a single-bond geometry to one Br1- atom. The Te–Br bond length is 3.16 Å. In the second Te1+ site, Te1+ is bonded in a single-bond geometry to one Br1- atom. The Te–Br bond length is 3.04 Å. In the third Te1+ site, Te1+ is bonded in a rectangular see-saw-like geometry to four Br1- atoms. There are a spread of Te–Br bond distances ranging from 2.59–3.05 Å. In the fourth Te1+ site, Te1+ is bonded in a distorted rectangular see-saw-like geometry to four Br1- atoms. There are a spread of Te–Br bond distances ranging from 2.56–3.34 Å. In the fifth Te1+ site, Te1+ is bonded in a T-shaped geometry to three Br1- atoms. There are a spread of Te–Br bond distances ranging from 2.59–2.78 Å. There are eight inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Te1+ atom. In the second Br1- site, Br1- is bonded in an L-shaped geometry to two Te1+ atoms. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Te1+ atom. In the fourth Br1- site, Br1- is bonded in a distorted L-shaped geometry to two Te1+ atoms. In the fifth Br1- site, Br1- is bonded in a distorted single-bond geometry to two Te1+ atoms. In the sixth Br1- site, Br1- is bonded in a single-bond geometry to one Te1+ atom. In the seventh Br1- site, Br1- is bonded in a 2-coordinate geometry to two Te1+ atoms. In the eighth Br1- site, Br1- is bonded in a 2-coordinate geometry to two Te1+ atoms.},
doi = {10.17188/1758056},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}