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Title: Materials Data on Re(Te4Cl3)2 by Materials Project

Abstract

ReCl6Re(TeCl3)2(Te)14 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four hexachlororhenium molecules, fifty-six tellurium molecules, and four Re(TeCl3)2 clusters. In each Re(TeCl3)2 cluster, Re4+ is bonded in an octahedral geometry to six Cl1- atoms. There are four shorter (2.37 Å) and two longer (2.38 Å) Re–Cl bond lengths. Te+0.25+ is bonded in a single-bond geometry to one Cl1- atom. The Te–Cl bond length is 3.09 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Re4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Re4+ atom. In the third Cl1- site, Cl1- is bonded in a distorted water-like geometry to one Re4+ and one Te+0.25+ atom.

Publication Date:
Other Number(s):
mp-624000
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; Re(Te4Cl3)2; Cl-Re-Te
OSTI Identifier:
1278231
DOI:
https://doi.org/10.17188/1278231

Citation Formats

The Materials Project. Materials Data on Re(Te4Cl3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278231.
The Materials Project. Materials Data on Re(Te4Cl3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1278231
The Materials Project. 2020. "Materials Data on Re(Te4Cl3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1278231. https://www.osti.gov/servlets/purl/1278231. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1278231,
title = {Materials Data on Re(Te4Cl3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {ReCl6Re(TeCl3)2(Te)14 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four hexachlororhenium molecules, fifty-six tellurium molecules, and four Re(TeCl3)2 clusters. In each Re(TeCl3)2 cluster, Re4+ is bonded in an octahedral geometry to six Cl1- atoms. There are four shorter (2.37 Å) and two longer (2.38 Å) Re–Cl bond lengths. Te+0.25+ is bonded in a single-bond geometry to one Cl1- atom. The Te–Cl bond length is 3.09 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Re4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Re4+ atom. In the third Cl1- site, Cl1- is bonded in a distorted water-like geometry to one Re4+ and one Te+0.25+ atom.},
doi = {10.17188/1278231},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}