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Title: Materials Data on SN by Materials Project

Abstract

NS crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of ten NS clusters. In two of the NS clusters, there are three inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a bent 120 degrees geometry to two S1- atoms. There is one shorter (1.60 Å) and one longer (1.61 Å) N–S bond length. In the second N1+ site, N1+ is bonded in a single-bond geometry to one S1- atom. The N–S bond length is 1.47 Å. In the third N1+ site, N1+ is bonded in a bent 120 degrees geometry to two S1- atoms. There is one shorter (1.57 Å) and one longer (1.73 Å) N–S bond length. There are three inequivalent S1- sites. In the first S1- site, S1- is bonded in a single-bond geometry to one N1+ atom. In the second S1- site, S1- is bonded in a water-like geometry to two N1+ atoms. In the third S1- site, S1- is bonded in a bent 120 degrees geometry to two N1+ atoms. In four of the NS clusters, there are two inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a single-bond geometry to one S1-more » atom. The N–S bond length is 1.47 Å. In the second N1+ site, N1+ is bonded in a bent 120 degrees geometry to two S1- atoms. There is one shorter (1.57 Å) and one longer (1.80 Å) N–S bond length. There are two inequivalent S1- sites. In the first S1- site, S1- is bonded in a single-bond geometry to one N1+ atom. In the second S1- site, S1- is bonded in a bent 120 degrees geometry to two N1+ atoms. In four of the NS clusters, N1+ is bonded in a single-bond geometry to one S1- atom. The N–S bond length is 1.48 Å. S1- is bonded in a single-bond geometry to one N1+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1173453
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; SN; N-S
OSTI Identifier:
1718747
DOI:
https://doi.org/10.17188/1718747

Citation Formats

The Materials Project. Materials Data on SN by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1718747.
The Materials Project. Materials Data on SN by Materials Project. United States. doi:https://doi.org/10.17188/1718747
The Materials Project. 2019. "Materials Data on SN by Materials Project". United States. doi:https://doi.org/10.17188/1718747. https://www.osti.gov/servlets/purl/1718747. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1718747,
title = {Materials Data on SN by Materials Project},
author = {The Materials Project},
abstractNote = {NS crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of ten NS clusters. In two of the NS clusters, there are three inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a bent 120 degrees geometry to two S1- atoms. There is one shorter (1.60 Å) and one longer (1.61 Å) N–S bond length. In the second N1+ site, N1+ is bonded in a single-bond geometry to one S1- atom. The N–S bond length is 1.47 Å. In the third N1+ site, N1+ is bonded in a bent 120 degrees geometry to two S1- atoms. There is one shorter (1.57 Å) and one longer (1.73 Å) N–S bond length. There are three inequivalent S1- sites. In the first S1- site, S1- is bonded in a single-bond geometry to one N1+ atom. In the second S1- site, S1- is bonded in a water-like geometry to two N1+ atoms. In the third S1- site, S1- is bonded in a bent 120 degrees geometry to two N1+ atoms. In four of the NS clusters, there are two inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a single-bond geometry to one S1- atom. The N–S bond length is 1.47 Å. In the second N1+ site, N1+ is bonded in a bent 120 degrees geometry to two S1- atoms. There is one shorter (1.57 Å) and one longer (1.80 Å) N–S bond length. There are two inequivalent S1- sites. In the first S1- site, S1- is bonded in a single-bond geometry to one N1+ atom. In the second S1- site, S1- is bonded in a bent 120 degrees geometry to two N1+ atoms. In four of the NS clusters, N1+ is bonded in a single-bond geometry to one S1- atom. The N–S bond length is 1.48 Å. S1- is bonded in a single-bond geometry to one N1+ atom.},
doi = {10.17188/1718747},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}