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Title: Materials Data on CsGaBr4 by Materials Project

Abstract

CsGaBr4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to ten Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.82–4.24 Å. Ga3+ is bonded in a tetrahedral geometry to four Br1- atoms. There are a spread of Ga–Br bond distances ranging from 2.34–2.37 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted single-bond geometry to one Cs1+ and one Ga3+ atom. In the second Br1- site, Br1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Ga3+ atom. In the third Br1- site, Br1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Ga3+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-672251
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; CsGaBr4; Br-Cs-Ga
OSTI Identifier:
1281801
DOI:
10.17188/1281801

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on CsGaBr4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281801.
Persson, Kristin, & Project, Materials. Materials Data on CsGaBr4 by Materials Project. United States. doi:10.17188/1281801.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on CsGaBr4 by Materials Project". United States. doi:10.17188/1281801. https://www.osti.gov/servlets/purl/1281801. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1281801,
title = {Materials Data on CsGaBr4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {CsGaBr4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to ten Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.82–4.24 Å. Ga3+ is bonded in a tetrahedral geometry to four Br1- atoms. There are a spread of Ga–Br bond distances ranging from 2.34–2.37 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted single-bond geometry to one Cs1+ and one Ga3+ atom. In the second Br1- site, Br1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Ga3+ atom. In the third Br1- site, Br1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Ga3+ atom.},
doi = {10.17188/1281801},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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