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Title: Materials Data on Re(TeCl6)2 by Materials Project

Abstract

ReCl6(TeCl3)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two TeCl3 clusters and one ReCl6 ribbon oriented in the (0, 1, 0) direction. In each TeCl3 cluster, Te4+ is bonded in a 1-coordinate geometry to three Cl1- atoms. There are a spread of Te–Cl bond distances ranging from 2.03–2.89 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Te4+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Te4+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Te4+ atom. In the ReCl6 ribbon, Re4+ is bonded in a distorted square co-planar geometry to six Cl1- atoms. There are a spread of Re–Cl bond distances ranging from 2.17–3.04 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Re4+ and one Cl1- atom. The Cl–Cl bond length is 2.70 Å. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Re4+ and two Cl1- atoms. The Cl–Cl bond length is 2.69 Å. Inmore » the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Re4+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-28633
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; Re(TeCl6)2; Cl-Re-Te
OSTI Identifier:
1202721
DOI:
https://doi.org/10.17188/1202721

Citation Formats

The Materials Project. Materials Data on Re(TeCl6)2 by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1202721.
The Materials Project. Materials Data on Re(TeCl6)2 by Materials Project. United States. doi:https://doi.org/10.17188/1202721
The Materials Project. 2014. "Materials Data on Re(TeCl6)2 by Materials Project". United States. doi:https://doi.org/10.17188/1202721. https://www.osti.gov/servlets/purl/1202721. Pub date:Mon Feb 24 00:00:00 EST 2014
@article{osti_1202721,
title = {Materials Data on Re(TeCl6)2 by Materials Project},
author = {The Materials Project},
abstractNote = {ReCl6(TeCl3)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two TeCl3 clusters and one ReCl6 ribbon oriented in the (0, 1, 0) direction. In each TeCl3 cluster, Te4+ is bonded in a 1-coordinate geometry to three Cl1- atoms. There are a spread of Te–Cl bond distances ranging from 2.03–2.89 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Te4+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Te4+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Te4+ atom. In the ReCl6 ribbon, Re4+ is bonded in a distorted square co-planar geometry to six Cl1- atoms. There are a spread of Re–Cl bond distances ranging from 2.17–3.04 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Re4+ and one Cl1- atom. The Cl–Cl bond length is 2.70 Å. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Re4+ and two Cl1- atoms. The Cl–Cl bond length is 2.69 Å. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Re4+ atom.},
doi = {10.17188/1202721},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {2}
}