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Title: Materials Data on S4N5Cl by Materials Project

Abstract

N5S4Cl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight N5S4Cl clusters. there are five inequivalent N+1.80+ sites. In the first N+1.80+ site, N+1.80+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.60 Å) and one longer (1.65 Å) N–S bond length. In the second N+1.80+ site, N+1.80+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.57 Å) and one longer (1.72 Å) N–S bond length. In the third N+1.80+ site, N+1.80+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.56 Å) and one longer (1.72 Å) N–S bond length. In the fourth N+1.80+ site, N+1.80+ is bonded in a bent 120 degrees geometry to two S2- atoms. Both N–S bond lengths are 1.64 Å. In the fifth N+1.80+ site, N+1.80+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.60 Å) and one longer (1.65 Å) N–S bond length. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a bent 120 degrees geometry to two N+1.80+more » atoms. In the second S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two N+1.80+ and one Cl1- atom. The S–Cl bond length is 2.28 Å. In the third S2- site, S2- is bonded in a trigonal non-coplanar geometry to three N+1.80+ atoms. In the fourth S2- site, S2- is bonded in a trigonal non-coplanar geometry to three N+1.80+ atoms. Cl1- is bonded in a single-bond geometry to one S2- atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-556273
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; S4N5Cl; Cl-N-S
OSTI Identifier:
1269264
DOI:
10.17188/1269264

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on S4N5Cl by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269264.
Persson, Kristin, & Project, Materials. Materials Data on S4N5Cl by Materials Project. United States. doi:10.17188/1269264.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on S4N5Cl by Materials Project". United States. doi:10.17188/1269264. https://www.osti.gov/servlets/purl/1269264. Pub date:Fri May 29 00:00:00 EDT 2020
@article{osti_1269264,
title = {Materials Data on S4N5Cl by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {N5S4Cl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight N5S4Cl clusters. there are five inequivalent N+1.80+ sites. In the first N+1.80+ site, N+1.80+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.60 Å) and one longer (1.65 Å) N–S bond length. In the second N+1.80+ site, N+1.80+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.57 Å) and one longer (1.72 Å) N–S bond length. In the third N+1.80+ site, N+1.80+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.56 Å) and one longer (1.72 Å) N–S bond length. In the fourth N+1.80+ site, N+1.80+ is bonded in a bent 120 degrees geometry to two S2- atoms. Both N–S bond lengths are 1.64 Å. In the fifth N+1.80+ site, N+1.80+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.60 Å) and one longer (1.65 Å) N–S bond length. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a bent 120 degrees geometry to two N+1.80+ atoms. In the second S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two N+1.80+ and one Cl1- atom. The S–Cl bond length is 2.28 Å. In the third S2- site, S2- is bonded in a trigonal non-coplanar geometry to three N+1.80+ atoms. In the fourth S2- site, S2- is bonded in a trigonal non-coplanar geometry to three N+1.80+ atoms. Cl1- is bonded in a single-bond geometry to one S2- atom.},
doi = {10.17188/1269264},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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