skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on TeS4(NCl)4 by Materials Project

Abstract

(NS)4TeCl4 is alpha carbon monoxide-like structured and crystallizes in the monoclinic Cc space group. The structure is zero-dimensional and consists of four 1,3,5,7,2,4,6,8-tetrathiatetrazocane molecules and four TeCl4 clusters. In each TeCl4 cluster, Te4+ is bonded in a distorted rectangular see-saw-like geometry to four Cl1- atoms. There are a spread of Te–Cl bond distances ranging from 2.48–2.54 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Te4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Te4+ atom. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Te4+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Te4+ atom.

Publication Date:
Other Number(s):
mp-554646
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; TeS4(NCl)4; Cl-N-S-Te
OSTI Identifier:
1267997
DOI:
10.17188/1267997

Citation Formats

The Materials Project. Materials Data on TeS4(NCl)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267997.
The Materials Project. Materials Data on TeS4(NCl)4 by Materials Project. United States. doi:10.17188/1267997.
The Materials Project. 2020. "Materials Data on TeS4(NCl)4 by Materials Project". United States. doi:10.17188/1267997. https://www.osti.gov/servlets/purl/1267997. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1267997,
title = {Materials Data on TeS4(NCl)4 by Materials Project},
author = {The Materials Project},
abstractNote = {(NS)4TeCl4 is alpha carbon monoxide-like structured and crystallizes in the monoclinic Cc space group. The structure is zero-dimensional and consists of four 1,3,5,7,2,4,6,8-tetrathiatetrazocane molecules and four TeCl4 clusters. In each TeCl4 cluster, Te4+ is bonded in a distorted rectangular see-saw-like geometry to four Cl1- atoms. There are a spread of Te–Cl bond distances ranging from 2.48–2.54 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Te4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Te4+ atom. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Te4+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Te4+ atom.},
doi = {10.17188/1267997},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: