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Title: Materials Data on Ag3HSN3O2 by Materials Project

Abstract

Ag3N3HSO2 crystallizes in the orthorhombic Pbcm space group. The structure is one-dimensional and consists of two Ag3N3HSO2 ribbons oriented in the (1, 0, 0) direction. there are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded in a linear geometry to two N+0.33- atoms. Both Ag–N bond lengths are 2.13 Å. In the second Ag2+ site, Ag2+ is bonded in a linear geometry to two N+0.33- atoms. There are one shorter (2.02 Å) and one longer (2.16 Å) Ag–N bond lengths. There are three inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a distorted tetrahedral geometry to three Ag2+ and one S2- atom. The N–S bond length is 1.62 Å. In the second N+0.33- site, N+0.33- is bonded in a distorted single-bond geometry to two equivalent Ag2+, one H1+, and one S2- atom. The N–H bond length is 1.03 Å. The N–S bond length is 1.73 Å. In the third N+0.33- site, N+0.33- is bonded in a distorted single-bond geometry to one Ag2+ atom. H1+ is bonded in a single-bond geometry to one N+0.33- atom. S2- is bonded in a tetrahedral geometry to two N+0.33- and two equivalent O2- atoms. Both S–O bondmore » lengths are 1.45 Å. O2- is bonded in a single-bond geometry to one S2- atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1215046
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; Ag3HSN3O2; Ag-H-N-O-S
OSTI Identifier:
1748753
DOI:
https://doi.org/10.17188/1748753

Citation Formats

The Materials Project. Materials Data on Ag3HSN3O2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1748753.
The Materials Project. Materials Data on Ag3HSN3O2 by Materials Project. United States. doi:https://doi.org/10.17188/1748753
The Materials Project. 2020. "Materials Data on Ag3HSN3O2 by Materials Project". United States. doi:https://doi.org/10.17188/1748753. https://www.osti.gov/servlets/purl/1748753. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1748753,
title = {Materials Data on Ag3HSN3O2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ag3N3HSO2 crystallizes in the orthorhombic Pbcm space group. The structure is one-dimensional and consists of two Ag3N3HSO2 ribbons oriented in the (1, 0, 0) direction. there are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded in a linear geometry to two N+0.33- atoms. Both Ag–N bond lengths are 2.13 Å. In the second Ag2+ site, Ag2+ is bonded in a linear geometry to two N+0.33- atoms. There are one shorter (2.02 Å) and one longer (2.16 Å) Ag–N bond lengths. There are three inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a distorted tetrahedral geometry to three Ag2+ and one S2- atom. The N–S bond length is 1.62 Å. In the second N+0.33- site, N+0.33- is bonded in a distorted single-bond geometry to two equivalent Ag2+, one H1+, and one S2- atom. The N–H bond length is 1.03 Å. The N–S bond length is 1.73 Å. In the third N+0.33- site, N+0.33- is bonded in a distorted single-bond geometry to one Ag2+ atom. H1+ is bonded in a single-bond geometry to one N+0.33- atom. S2- is bonded in a tetrahedral geometry to two N+0.33- and two equivalent O2- atoms. Both S–O bond lengths are 1.45 Å. O2- is bonded in a single-bond geometry to one S2- atom.},
doi = {10.17188/1748753},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}