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Title: Materials Data on Li7IN2 by Materials Project

Abstract

Li7N2I crystallizes in the cubic Fd-3m space group. The structure is three-dimensional and consists of eight lithium molecules and one Li6N2I framework. In the Li6N2I framework, Li1+ is bonded in a 2-coordinate geometry to two equivalent N3- and one I1- atom. Both Li–N bond lengths are 2.32 Å. The Li–I bond length is 2.63 Å. N3- is bonded in a distorted body-centered cubic geometry to six equivalent Li1+ and two equivalent I1- atoms. Both N–I bond lengths are 2.41 Å. I1- is bonded in a distorted q6 geometry to six equivalent Li1+ and four equivalent N3- atoms.

Authors:
Publication Date:
Other Number(s):
mp-504574
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; Li7IN2; I-Li-N
OSTI Identifier:
1261777
DOI:
https://doi.org/10.17188/1261777

Citation Formats

The Materials Project. Materials Data on Li7IN2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1261777.
The Materials Project. Materials Data on Li7IN2 by Materials Project. United States. doi:https://doi.org/10.17188/1261777
The Materials Project. 2020. "Materials Data on Li7IN2 by Materials Project". United States. doi:https://doi.org/10.17188/1261777. https://www.osti.gov/servlets/purl/1261777. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1261777,
title = {Materials Data on Li7IN2 by Materials Project},
author = {The Materials Project},
abstractNote = {Li7N2I crystallizes in the cubic Fd-3m space group. The structure is three-dimensional and consists of eight lithium molecules and one Li6N2I framework. In the Li6N2I framework, Li1+ is bonded in a 2-coordinate geometry to two equivalent N3- and one I1- atom. Both Li–N bond lengths are 2.32 Å. The Li–I bond length is 2.63 Å. N3- is bonded in a distorted body-centered cubic geometry to six equivalent Li1+ and two equivalent I1- atoms. Both N–I bond lengths are 2.41 Å. I1- is bonded in a distorted q6 geometry to six equivalent Li1+ and four equivalent N3- atoms.},
doi = {10.17188/1261777},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}