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Title: Materials Data on Li3Co(NO2)6 by Materials Project

Abstract

(Li(NO2)2)3Co crystallizes in the trigonal R-3m space group. The structure is three-dimensional and consists of three cobalt molecules and one Li(NO2)2 framework. In the Li(NO2)2 framework, there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in an octahedral geometry to six O2- atoms. There are three shorter (2.01 Å) and three longer (2.30 Å) Li–O bond lengths. In the second Li1+ site, Li1+ is bonded in a 12-coordinate geometry to six equivalent O2- atoms. All Li–O bond lengths are 2.43 Å. N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.25 Å) N–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Li1+ and one N3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Li1+ and one N3+ atom.

Publication Date:
Other Number(s):
mp-772317
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; Li3Co(NO2)6; Co-Li-N-O
OSTI Identifier:
1301170
DOI:
10.17188/1301170

Citation Formats

The Materials Project. Materials Data on Li3Co(NO2)6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1301170.
The Materials Project. Materials Data on Li3Co(NO2)6 by Materials Project. United States. doi:10.17188/1301170.
The Materials Project. 2020. "Materials Data on Li3Co(NO2)6 by Materials Project". United States. doi:10.17188/1301170. https://www.osti.gov/servlets/purl/1301170. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1301170,
title = {Materials Data on Li3Co(NO2)6 by Materials Project},
author = {The Materials Project},
abstractNote = {(Li(NO2)2)3Co crystallizes in the trigonal R-3m space group. The structure is three-dimensional and consists of three cobalt molecules and one Li(NO2)2 framework. In the Li(NO2)2 framework, there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in an octahedral geometry to six O2- atoms. There are three shorter (2.01 Å) and three longer (2.30 Å) Li–O bond lengths. In the second Li1+ site, Li1+ is bonded in a 12-coordinate geometry to six equivalent O2- atoms. All Li–O bond lengths are 2.43 Å. N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.25 Å) N–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Li1+ and one N3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Li1+ and one N3+ atom.},
doi = {10.17188/1301170},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

Dataset:

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