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Title: Materials Data on Ag3S(NO)3 by Materials Project

Abstract

Ag3S(NO)3 crystallizes in the orthorhombic Pbcm space group. The structure is one-dimensional and consists of two Ag3S(NO)3 ribbons oriented in the (1, 0, 0) direction. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a linear geometry to two N+1.67+ atoms. There are one shorter (2.01 Å) and one longer (2.17 Å) Ag–N bond lengths. In the second Ag1+ site, Ag1+ is bonded in a distorted linear geometry to two N+1.67+ atoms. There are one shorter (2.15 Å) and one longer (2.19 Å) Ag–N bond lengths. There are three inequivalent N+1.67+ sites. In the first N+1.67+ site, N+1.67+ is bonded to three Ag1+ and one S2- atom to form distorted corner-sharing NAg3S tetrahedra. The N–S bond length is 1.60 Å. In the second N+1.67+ site, N+1.67+ is bonded to two equivalent Ag1+, one S2-, and one O2- atom to form distorted corner-sharing NAg2SO tetrahedra. The N–S bond length is 1.92 Å. The N–O bond length is 1.24 Å. In the third N+1.67+ site, N+1.67+ is bonded in a single-bond geometry to one Ag1+ atom. S2- is bonded in a distorted tetrahedral geometry to two N+1.67+ and two equivalent O2- atoms. Both S–O bond lengthsmore » are 1.45 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N+1.67+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S2- atom.« less

Publication Date:
Other Number(s):
mp-1182998
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; Ag3S(NO)3; Ag-N-O-S
OSTI Identifier:
1655356
DOI:
https://doi.org/10.17188/1655356

Citation Formats

The Materials Project. Materials Data on Ag3S(NO)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1655356.
The Materials Project. Materials Data on Ag3S(NO)3 by Materials Project. United States. doi:https://doi.org/10.17188/1655356
The Materials Project. 2020. "Materials Data on Ag3S(NO)3 by Materials Project". United States. doi:https://doi.org/10.17188/1655356. https://www.osti.gov/servlets/purl/1655356. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1655356,
title = {Materials Data on Ag3S(NO)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ag3S(NO)3 crystallizes in the orthorhombic Pbcm space group. The structure is one-dimensional and consists of two Ag3S(NO)3 ribbons oriented in the (1, 0, 0) direction. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a linear geometry to two N+1.67+ atoms. There are one shorter (2.01 Å) and one longer (2.17 Å) Ag–N bond lengths. In the second Ag1+ site, Ag1+ is bonded in a distorted linear geometry to two N+1.67+ atoms. There are one shorter (2.15 Å) and one longer (2.19 Å) Ag–N bond lengths. There are three inequivalent N+1.67+ sites. In the first N+1.67+ site, N+1.67+ is bonded to three Ag1+ and one S2- atom to form distorted corner-sharing NAg3S tetrahedra. The N–S bond length is 1.60 Å. In the second N+1.67+ site, N+1.67+ is bonded to two equivalent Ag1+, one S2-, and one O2- atom to form distorted corner-sharing NAg2SO tetrahedra. The N–S bond length is 1.92 Å. The N–O bond length is 1.24 Å. In the third N+1.67+ site, N+1.67+ is bonded in a single-bond geometry to one Ag1+ atom. S2- is bonded in a distorted tetrahedral geometry to two N+1.67+ and two equivalent O2- atoms. Both S–O bond lengths are 1.45 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N+1.67+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S2- atom.},
doi = {10.17188/1655356},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}