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Title: Materials Data on S2N2Cl by Materials Project

Abstract

N2S2Cl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four N2S2Cl clusters. there are four inequivalent N+1.50- sites. In the first N+1.50- site, N+1.50- is bonded in a bent 120 degrees geometry to two S2+ atoms. There is one shorter (1.60 Å) and one longer (1.63 Å) N–S bond length. In the second N+1.50- site, N+1.50- is bonded in a bent 120 degrees geometry to two S2+ atoms. There is one shorter (1.59 Å) and one longer (1.62 Å) N–S bond length. In the third N+1.50- site, N+1.50- is bonded in a bent 120 degrees geometry to two S2+ atoms. Both N–S bond lengths are 1.61 Å. In the fourth N+1.50- site, N+1.50- is bonded in a bent 120 degrees geometry to two S2+ atoms. Both N–S bond lengths are 1.61 Å. There are four inequivalent S2+ sites. In the first S2+ site, S2+ is bonded in a trigonal non-coplanar geometry to two N+1.50- and one Cl1- atom. The S–Cl bond length is 2.19 Å. In the second S2+ site, S2+ is bonded in a water-like geometry to two N+1.50- atoms. In the third S2+ site, S2+ is bonded in a water-like geometry tomore » two N+1.50- atoms. In the fourth S2+ site, S2+ is bonded in a trigonal non-coplanar geometry to two N+1.50- and one Cl1- atom. The S–Cl bond length is 2.27 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one S2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one S2+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-29067
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; S2N2Cl; Cl-N-S
OSTI Identifier:
1203137
DOI:
https://doi.org/10.17188/1203137

Citation Formats

The Materials Project. Materials Data on S2N2Cl by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203137.
The Materials Project. Materials Data on S2N2Cl by Materials Project. United States. doi:https://doi.org/10.17188/1203137
The Materials Project. 2020. "Materials Data on S2N2Cl by Materials Project". United States. doi:https://doi.org/10.17188/1203137. https://www.osti.gov/servlets/purl/1203137. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1203137,
title = {Materials Data on S2N2Cl by Materials Project},
author = {The Materials Project},
abstractNote = {N2S2Cl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four N2S2Cl clusters. there are four inequivalent N+1.50- sites. In the first N+1.50- site, N+1.50- is bonded in a bent 120 degrees geometry to two S2+ atoms. There is one shorter (1.60 Å) and one longer (1.63 Å) N–S bond length. In the second N+1.50- site, N+1.50- is bonded in a bent 120 degrees geometry to two S2+ atoms. There is one shorter (1.59 Å) and one longer (1.62 Å) N–S bond length. In the third N+1.50- site, N+1.50- is bonded in a bent 120 degrees geometry to two S2+ atoms. Both N–S bond lengths are 1.61 Å. In the fourth N+1.50- site, N+1.50- is bonded in a bent 120 degrees geometry to two S2+ atoms. Both N–S bond lengths are 1.61 Å. There are four inequivalent S2+ sites. In the first S2+ site, S2+ is bonded in a trigonal non-coplanar geometry to two N+1.50- and one Cl1- atom. The S–Cl bond length is 2.19 Å. In the second S2+ site, S2+ is bonded in a water-like geometry to two N+1.50- atoms. In the third S2+ site, S2+ is bonded in a water-like geometry to two N+1.50- atoms. In the fourth S2+ site, S2+ is bonded in a trigonal non-coplanar geometry to two N+1.50- and one Cl1- atom. The S–Cl bond length is 2.27 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one S2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one S2+ atom.},
doi = {10.17188/1203137},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}