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Title: Materials Data on Cs3Li2Br5 by Materials Project

Abstract

Cs3Li2Br5 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a body-centered cubic geometry to eight Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.72–3.93 Å. In the second Cs1+ site, Cs1+ is bonded in a body-centered cubic geometry to eight Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.75–3.85 Å. Li1+ is bonded to four Br1- atoms to form corner-sharing LiBr4 tetrahedra. There are a spread of Li–Br bond distances ranging from 2.52–2.60 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a body-centered cubic geometry to eight Cs1+ atoms. In the second Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cs1+ and three equivalent Li1+ atoms. In the third Br1- site, Br1- is bonded in a distorted single-bond geometry to six Cs1+ and one Li1+ atom.

Publication Date:
Other Number(s):
mp-1080005
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; Cs3Li2Br5; Br-Cs-Li
OSTI Identifier:
1654407
DOI:
https://doi.org/10.17188/1654407

Citation Formats

The Materials Project. Materials Data on Cs3Li2Br5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1654407.
The Materials Project. Materials Data on Cs3Li2Br5 by Materials Project. United States. doi:https://doi.org/10.17188/1654407
The Materials Project. 2020. "Materials Data on Cs3Li2Br5 by Materials Project". United States. doi:https://doi.org/10.17188/1654407. https://www.osti.gov/servlets/purl/1654407. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1654407,
title = {Materials Data on Cs3Li2Br5 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs3Li2Br5 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a body-centered cubic geometry to eight Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.72–3.93 Å. In the second Cs1+ site, Cs1+ is bonded in a body-centered cubic geometry to eight Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.75–3.85 Å. Li1+ is bonded to four Br1- atoms to form corner-sharing LiBr4 tetrahedra. There are a spread of Li–Br bond distances ranging from 2.52–2.60 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a body-centered cubic geometry to eight Cs1+ atoms. In the second Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cs1+ and three equivalent Li1+ atoms. In the third Br1- site, Br1- is bonded in a distorted single-bond geometry to six Cs1+ and one Li1+ atom.},
doi = {10.17188/1654407},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}