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Title: Materials Data on CsLi2I3 by Materials Project

Abstract

CsLi2I3 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Cs1+ is bonded in a body-centered cubic geometry to eight equivalent I1- atoms. All Cs–I bond lengths are 4.01 Å. Li1+ is bonded to four I1- atoms to form corner-sharing LiI4 tetrahedra. There are two shorter (2.78 Å) and two longer (2.84 Å) Li–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted water-like geometry to four equivalent Cs1+ and two equivalent Li1+ atoms. In the second I1- site, I1- is bonded to four equivalent Li1+ atoms to form corner-sharing ILi4 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-569055
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; CsLi2I3; Cs-I-Li
OSTI Identifier:
1274914
DOI:
https://doi.org/10.17188/1274914

Citation Formats

The Materials Project. Materials Data on CsLi2I3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274914.
The Materials Project. Materials Data on CsLi2I3 by Materials Project. United States. doi:https://doi.org/10.17188/1274914
The Materials Project. 2020. "Materials Data on CsLi2I3 by Materials Project". United States. doi:https://doi.org/10.17188/1274914. https://www.osti.gov/servlets/purl/1274914. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1274914,
title = {Materials Data on CsLi2I3 by Materials Project},
author = {The Materials Project},
abstractNote = {CsLi2I3 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Cs1+ is bonded in a body-centered cubic geometry to eight equivalent I1- atoms. All Cs–I bond lengths are 4.01 Å. Li1+ is bonded to four I1- atoms to form corner-sharing LiI4 tetrahedra. There are two shorter (2.78 Å) and two longer (2.84 Å) Li–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted water-like geometry to four equivalent Cs1+ and two equivalent Li1+ atoms. In the second I1- site, I1- is bonded to four equivalent Li1+ atoms to form corner-sharing ILi4 tetrahedra.},
doi = {10.17188/1274914},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 00:00:00 EDT 2020},
month = {Sun May 03 00:00:00 EDT 2020}
}