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Title: Materials Data on S5N6 by Materials Project

Abstract

N6S5 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four N6S5 clusters. there are three inequivalent N+1.67+ sites. In the first N+1.67+ site, N+1.67+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.62 Å) and one longer (1.63 Å) N–S bond length. In the second N+1.67+ site, N+1.67+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.62 Å) and one longer (1.63 Å) N–S bond length. In the third N+1.67+ site, N+1.67+ is bonded in a bent 150 degrees geometry to two S2- atoms. There is one shorter (1.55 Å) and one longer (1.73 Å) N–S bond length. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a bent 120 degrees geometry to two N+1.67+ atoms. In the second S2- site, S2- is bonded in a trigonal non-coplanar geometry to three N+1.67+ atoms. In the third S2- site, S2- is bonded in a bent 120 degrees geometry to two equivalent N+1.67+ atoms.

Publication Date:
Other Number(s):
mp-1419
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; S5N6; N-S
OSTI Identifier:
1190198
DOI:
10.17188/1190198

Citation Formats

The Materials Project. Materials Data on S5N6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1190198.
The Materials Project. Materials Data on S5N6 by Materials Project. United States. doi:10.17188/1190198.
The Materials Project. 2020. "Materials Data on S5N6 by Materials Project". United States. doi:10.17188/1190198. https://www.osti.gov/servlets/purl/1190198. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1190198,
title = {Materials Data on S5N6 by Materials Project},
author = {The Materials Project},
abstractNote = {N6S5 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four N6S5 clusters. there are three inequivalent N+1.67+ sites. In the first N+1.67+ site, N+1.67+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.62 Å) and one longer (1.63 Å) N–S bond length. In the second N+1.67+ site, N+1.67+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.62 Å) and one longer (1.63 Å) N–S bond length. In the third N+1.67+ site, N+1.67+ is bonded in a bent 150 degrees geometry to two S2- atoms. There is one shorter (1.55 Å) and one longer (1.73 Å) N–S bond length. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a bent 120 degrees geometry to two N+1.67+ atoms. In the second S2- site, S2- is bonded in a trigonal non-coplanar geometry to three N+1.67+ atoms. In the third S2- site, S2- is bonded in a bent 120 degrees geometry to two equivalent N+1.67+ atoms.},
doi = {10.17188/1190198},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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