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Title: Materials Data on S5N4O3 by Materials Project

Abstract

N4S5O3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four N4S5O3 clusters. there are four inequivalent N4+ sites. In the first N4+ site, N4+ is bonded in a bent 150 degrees geometry to two S2- atoms. There is one shorter (1.56 Å) and one longer (1.59 Å) N–S bond length. In the second N4+ site, N4+ is bonded in a trigonal planar geometry to three S2- atoms. There is two shorter (1.67 Å) and one longer (1.83 Å) N–S bond length. In the third N4+ site, N4+ is bonded in a bent 150 degrees geometry to two S2- atoms. There is one shorter (1.56 Å) and one longer (1.60 Å) N–S bond length. In the fourth N4+ site, N4+ is bonded in a bent 150 degrees geometry to two S2- atoms. Both N–S bond lengths are 1.59 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted water-like geometry to two N4+ atoms. In the second S2- site, S2- is bonded in a distorted bent 120 degrees geometry to two N4+ atoms. In the third S2- site, S2- is bonded in a bent 120 degrees geometrymore » to two N4+ atoms. In the fourth S2- site, S2- is bonded in a water-like geometry to two N4+ atoms. In the fifth S2- site, S2- is bonded in a distorted tetrahedral geometry to one N4+ and three O2- atoms. There is one shorter (1.45 Å) and two longer (1.46 Å) S–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S2- atom.« less

Publication Date:
Other Number(s):
mp-540558
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; S5N4O3; N-O-S
OSTI Identifier:
1264394
DOI:
10.17188/1264394

Citation Formats

The Materials Project. Materials Data on S5N4O3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1264394.
The Materials Project. Materials Data on S5N4O3 by Materials Project. United States. doi:10.17188/1264394.
The Materials Project. 2020. "Materials Data on S5N4O3 by Materials Project". United States. doi:10.17188/1264394. https://www.osti.gov/servlets/purl/1264394. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1264394,
title = {Materials Data on S5N4O3 by Materials Project},
author = {The Materials Project},
abstractNote = {N4S5O3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four N4S5O3 clusters. there are four inequivalent N4+ sites. In the first N4+ site, N4+ is bonded in a bent 150 degrees geometry to two S2- atoms. There is one shorter (1.56 Å) and one longer (1.59 Å) N–S bond length. In the second N4+ site, N4+ is bonded in a trigonal planar geometry to three S2- atoms. There is two shorter (1.67 Å) and one longer (1.83 Å) N–S bond length. In the third N4+ site, N4+ is bonded in a bent 150 degrees geometry to two S2- atoms. There is one shorter (1.56 Å) and one longer (1.60 Å) N–S bond length. In the fourth N4+ site, N4+ is bonded in a bent 150 degrees geometry to two S2- atoms. Both N–S bond lengths are 1.59 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted water-like geometry to two N4+ atoms. In the second S2- site, S2- is bonded in a distorted bent 120 degrees geometry to two N4+ atoms. In the third S2- site, S2- is bonded in a bent 120 degrees geometry to two N4+ atoms. In the fourth S2- site, S2- is bonded in a water-like geometry to two N4+ atoms. In the fifth S2- site, S2- is bonded in a distorted tetrahedral geometry to one N4+ and three O2- atoms. There is one shorter (1.45 Å) and two longer (1.46 Å) S–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S2- atom.},
doi = {10.17188/1264394},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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