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Title: Materials Data on S3(NO)2 by Materials Project

Abstract

S3(NO)2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four S3(NO)2 clusters. there are two inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a single-bond geometry to one S2- atom. The N–S bond length is 1.45 Å. In the second N5+ site, N5+ is bonded in a single-bond geometry to one S2- atom. The N–S bond length is 1.45 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a bent 120 degrees geometry to one N5+ and one O2- atom. The S–O bond length is 1.82 Å. In the second S2- site, S2- is bonded in a water-like geometry to two O2- atoms. Both S–O bond lengths are 1.63 Å. In the third S2- site, S2- is bonded in a bent 120 degrees geometry to one N5+ and one O2- atom. The S–O bond length is 1.82 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two S2- atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two S2- atoms.

Authors:
Publication Date:
Other Number(s):
mp-556439
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; S3(NO)2; N-O-S
OSTI Identifier:
1269353
DOI:
https://doi.org/10.17188/1269353

Citation Formats

The Materials Project. Materials Data on S3(NO)2 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1269353.
The Materials Project. Materials Data on S3(NO)2 by Materials Project. United States. doi:https://doi.org/10.17188/1269353
The Materials Project. 2017. "Materials Data on S3(NO)2 by Materials Project". United States. doi:https://doi.org/10.17188/1269353. https://www.osti.gov/servlets/purl/1269353. Pub date:Tue Jul 18 00:00:00 EDT 2017
@article{osti_1269353,
title = {Materials Data on S3(NO)2 by Materials Project},
author = {The Materials Project},
abstractNote = {S3(NO)2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four S3(NO)2 clusters. there are two inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a single-bond geometry to one S2- atom. The N–S bond length is 1.45 Å. In the second N5+ site, N5+ is bonded in a single-bond geometry to one S2- atom. The N–S bond length is 1.45 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a bent 120 degrees geometry to one N5+ and one O2- atom. The S–O bond length is 1.82 Å. In the second S2- site, S2- is bonded in a water-like geometry to two O2- atoms. Both S–O bond lengths are 1.63 Å. In the third S2- site, S2- is bonded in a bent 120 degrees geometry to one N5+ and one O2- atom. The S–O bond length is 1.82 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two S2- atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two S2- atoms.},
doi = {10.17188/1269353},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}