skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on HSN by Materials Project

Abstract

SHN1 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four 1,3,5,7,2,4,6,8-tetrathiatetrazocane molecules. there are three inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a distorted trigonal planar geometry to one H1+ and two equivalent S2- atoms. The N–H bond length is 1.03 Å. Both N–S bond lengths are 1.69 Å. In the second N1+ site, N1+ is bonded in a trigonal planar geometry to one H1+ and two equivalent S2- atoms. The N–H bond length is 1.02 Å. Both N–S bond lengths are 1.68 Å. In the third N1+ site, N1+ is bonded in a distorted trigonal planar geometry to one H1+ and two S2- atoms. The N–H bond length is 1.02 Å. Both N–S bond lengths are 1.68 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N1+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N1+ atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N1+ atom. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in amore » water-like geometry to two N1+ atoms. In the second S2- site, S2- is bonded in a water-like geometry to two N1+ atoms.« less

Publication Date:
Other Number(s):
mp-29349
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; HSN; H-N-S
OSTI Identifier:
1203701
DOI:
https://doi.org/10.17188/1203701

Citation Formats

The Materials Project. Materials Data on HSN by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203701.
The Materials Project. Materials Data on HSN by Materials Project. United States. doi:https://doi.org/10.17188/1203701
The Materials Project. 2020. "Materials Data on HSN by Materials Project". United States. doi:https://doi.org/10.17188/1203701. https://www.osti.gov/servlets/purl/1203701. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1203701,
title = {Materials Data on HSN by Materials Project},
author = {The Materials Project},
abstractNote = {SHN1 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four 1,3,5,7,2,4,6,8-tetrathiatetrazocane molecules. there are three inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a distorted trigonal planar geometry to one H1+ and two equivalent S2- atoms. The N–H bond length is 1.03 Å. Both N–S bond lengths are 1.69 Å. In the second N1+ site, N1+ is bonded in a trigonal planar geometry to one H1+ and two equivalent S2- atoms. The N–H bond length is 1.02 Å. Both N–S bond lengths are 1.68 Å. In the third N1+ site, N1+ is bonded in a distorted trigonal planar geometry to one H1+ and two S2- atoms. The N–H bond length is 1.02 Å. Both N–S bond lengths are 1.68 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N1+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N1+ atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N1+ atom. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two N1+ atoms. In the second S2- site, S2- is bonded in a water-like geometry to two N1+ atoms.},
doi = {10.17188/1203701},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}