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Title: Materials Data on NaAg(NO2)2 by Materials Project

Abstract

NaAg(NO2)2 crystallizes in the orthorhombic F222 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Na–O bond lengths are 2.45 Å. In the second Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.54 Å) and four longer (2.76 Å) Na–O bond lengths. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.45 Å) and four longer (3.06 Å) Ag–O bond lengths. In the second Ag1+ site, Ag1+ is bonded in a distorted linear geometry to two equivalent N3+ and four equivalent O2- atoms. Both Ag–N bond lengths are 2.17 Å. All Ag–O bond lengths are 2.99 Å. There are two inequivalent N3+ sites. In the first N3+ site, N3+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.27 Å. In the second N3+ site, N3+ is bonded in a trigonal planar geometry to one Ag1+ and two equivalent O2- atoms.more » Both N–O bond lengths are 1.26 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two Na1+, one Ag1+, and one N3+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, two Ag1+, and one N3+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-554048
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; NaAg(NO2)2; Ag-N-Na-O
OSTI Identifier:
1267708
DOI:
10.17188/1267708

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on NaAg(NO2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267708.
Persson, Kristin, & Project, Materials. Materials Data on NaAg(NO2)2 by Materials Project. United States. doi:10.17188/1267708.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on NaAg(NO2)2 by Materials Project". United States. doi:10.17188/1267708. https://www.osti.gov/servlets/purl/1267708. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1267708,
title = {Materials Data on NaAg(NO2)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {NaAg(NO2)2 crystallizes in the orthorhombic F222 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Na–O bond lengths are 2.45 Å. In the second Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.54 Å) and four longer (2.76 Å) Na–O bond lengths. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.45 Å) and four longer (3.06 Å) Ag–O bond lengths. In the second Ag1+ site, Ag1+ is bonded in a distorted linear geometry to two equivalent N3+ and four equivalent O2- atoms. Both Ag–N bond lengths are 2.17 Å. All Ag–O bond lengths are 2.99 Å. There are two inequivalent N3+ sites. In the first N3+ site, N3+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.27 Å. In the second N3+ site, N3+ is bonded in a trigonal planar geometry to one Ag1+ and two equivalent O2- atoms. Both N–O bond lengths are 1.26 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two Na1+, one Ag1+, and one N3+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, two Ag1+, and one N3+ atom.},
doi = {10.17188/1267708},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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