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Title: Materials Data on TeC2S2(N2Cl)2 by Materials Project

Abstract

C2TeS2(N2Cl)2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four 207737-98-2 molecules. C4+ is bonded in a 3-coordinate geometry to two N+1.50- and one S2- atom. There is one shorter (1.30 Å) and one longer (1.32 Å) C–N bond length. The C–S bond length is 1.86 Å. There are two inequivalent N+1.50- sites. In the first N+1.50- site, N+1.50- is bonded in a single-bond geometry to one C4+ atom. In the second N+1.50- site, N+1.50- is bonded in a single-bond geometry to one C4+ atom. Te4+ is bonded in a 4-coordinate geometry to two equivalent S2- and two equivalent Cl1- atoms. Both Te–S bond lengths are 2.67 Å. Both Te–Cl bond lengths are 2.47 Å. S2- is bonded in a distorted water-like geometry to one C4+ and one Te4+ atom. Cl1- is bonded in a distorted single-bond geometry to one Te4+ atom.

Publication Date:
Other Number(s):
mp-1191376
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; TeC2S2(N2Cl)2; C-Cl-N-S-Te
OSTI Identifier:
1672810
DOI:
https://doi.org/10.17188/1672810

Citation Formats

The Materials Project. Materials Data on TeC2S2(N2Cl)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1672810.
The Materials Project. Materials Data on TeC2S2(N2Cl)2 by Materials Project. United States. doi:https://doi.org/10.17188/1672810
The Materials Project. 2020. "Materials Data on TeC2S2(N2Cl)2 by Materials Project". United States. doi:https://doi.org/10.17188/1672810. https://www.osti.gov/servlets/purl/1672810. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1672810,
title = {Materials Data on TeC2S2(N2Cl)2 by Materials Project},
author = {The Materials Project},
abstractNote = {C2TeS2(N2Cl)2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four 207737-98-2 molecules. C4+ is bonded in a 3-coordinate geometry to two N+1.50- and one S2- atom. There is one shorter (1.30 Å) and one longer (1.32 Å) C–N bond length. The C–S bond length is 1.86 Å. There are two inequivalent N+1.50- sites. In the first N+1.50- site, N+1.50- is bonded in a single-bond geometry to one C4+ atom. In the second N+1.50- site, N+1.50- is bonded in a single-bond geometry to one C4+ atom. Te4+ is bonded in a 4-coordinate geometry to two equivalent S2- and two equivalent Cl1- atoms. Both Te–S bond lengths are 2.67 Å. Both Te–Cl bond lengths are 2.47 Å. S2- is bonded in a distorted water-like geometry to one C4+ and one Te4+ atom. Cl1- is bonded in a distorted single-bond geometry to one Te4+ atom.},
doi = {10.17188/1672810},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}