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Title: Materials Data on AgH36S8Br2(N3O4)3 by Materials Project

Abstract

Ag(S2O3)4(NH4)9(Br)2 crystallizes in the tetragonal I-42d space group. The structure is zero-dimensional and consists of thirty-six ammonium molecules, eight hydrobromic acid molecules, and four Ag(S2O3)4 clusters. In each Ag(S2O3)4 cluster, Ag1+ is bonded in a tetrahedral geometry to four equivalent S2- atoms. All Ag–S bond lengths are 2.60 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted water-like geometry to one Ag1+ and one S2- atom. The S–S bond length is 2.03 Å. In the second S2- site, S2- is bonded in a trigonal non-coplanar geometry to one S2- and three O2- atoms. There are a spread of S–O bond distances ranging from 1.48–1.50 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one S2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S2- atom.

Publication Date:
Other Number(s):
mp-849798
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; AgH36S8Br2(N3O4)3; Ag-Br-H-N-O-S
OSTI Identifier:
1308414
DOI:
https://doi.org/10.17188/1308414

Citation Formats

The Materials Project. Materials Data on AgH36S8Br2(N3O4)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1308414.
The Materials Project. Materials Data on AgH36S8Br2(N3O4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1308414
The Materials Project. 2020. "Materials Data on AgH36S8Br2(N3O4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1308414. https://www.osti.gov/servlets/purl/1308414. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1308414,
title = {Materials Data on AgH36S8Br2(N3O4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ag(S2O3)4(NH4)9(Br)2 crystallizes in the tetragonal I-42d space group. The structure is zero-dimensional and consists of thirty-six ammonium molecules, eight hydrobromic acid molecules, and four Ag(S2O3)4 clusters. In each Ag(S2O3)4 cluster, Ag1+ is bonded in a tetrahedral geometry to four equivalent S2- atoms. All Ag–S bond lengths are 2.60 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted water-like geometry to one Ag1+ and one S2- atom. The S–S bond length is 2.03 Å. In the second S2- site, S2- is bonded in a trigonal non-coplanar geometry to one S2- and three O2- atoms. There are a spread of S–O bond distances ranging from 1.48–1.50 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one S2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S2- atom.},
doi = {10.17188/1308414},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}