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Title: Materials Data on LiAg2(NO2)3 by Materials Project

Abstract

LiAg2(NO2)3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Li1+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 2.10–2.22 Å. There are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.45–2.59 Å. In the second Ag2+ site, Ag2+ is bonded in a distorted single-bond geometry to one O2- atom. The Ag–O bond length is 2.41 Å. There are three inequivalent N+2.33+ sites. In the first N+2.33+ site, N+2.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.27 Å) N–O bond length. In the second N+2.33+ site, N+2.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.28 Å) N–O bond length. In the third N+2.33+ site, N+2.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both N–O bond lengths are 1.26 Å. There are six inequivalent O2- sites. In the first O2- site, O2-more » is bonded in a 3-coordinate geometry to one Li1+, one Ag2+, and one N+2.33+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+, one Ag2+, and one N+2.33+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Ag2+, and one N+2.33+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Ag2+, and one N+2.33+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Li1+ and one N+2.33+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one Li1+ and one N+2.33+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1222677
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; LiAg2(NO2)3; Ag-Li-N-O
OSTI Identifier:
1666629
DOI:
https://doi.org/10.17188/1666629

Citation Formats

The Materials Project. Materials Data on LiAg2(NO2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1666629.
The Materials Project. Materials Data on LiAg2(NO2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1666629
The Materials Project. 2020. "Materials Data on LiAg2(NO2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1666629. https://www.osti.gov/servlets/purl/1666629. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1666629,
title = {Materials Data on LiAg2(NO2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {LiAg2(NO2)3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Li1+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 2.10–2.22 Å. There are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.45–2.59 Å. In the second Ag2+ site, Ag2+ is bonded in a distorted single-bond geometry to one O2- atom. The Ag–O bond length is 2.41 Å. There are three inequivalent N+2.33+ sites. In the first N+2.33+ site, N+2.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.27 Å) N–O bond length. In the second N+2.33+ site, N+2.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.28 Å) N–O bond length. In the third N+2.33+ site, N+2.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both N–O bond lengths are 1.26 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Ag2+, and one N+2.33+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+, one Ag2+, and one N+2.33+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Ag2+, and one N+2.33+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Ag2+, and one N+2.33+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Li1+ and one N+2.33+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one Li1+ and one N+2.33+ atom.},
doi = {10.17188/1666629},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}