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Title: Materials Data on GaBr2 by Materials Project

Abstract

GaBr2 crystallizes in the trigonal R3c space group. The structure is one-dimensional and consists of nine GaBr2 ribbons oriented in the (0, 0, 1) direction. there are two inequivalent Ga2+ sites. In the first Ga2+ site, Ga2+ is bonded in a 2-coordinate geometry to three Br1- atoms. There are a spread of Ga–Br bond distances ranging from 3.20–3.33 Å. In the second Ga2+ site, Ga2+ is bonded in a tetrahedral geometry to four Br1- atoms. There are a spread of Ga–Br bond distances ranging from 2.36–2.38 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted single-bond geometry to two Ga2+ atoms. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Ga2+ atom. In the third Br1- site, Br1- is bonded in a single-bond geometry to two Ga2+ atoms. In the fourth Br1- site, Br1- is bonded in a distorted single-bond geometry to two Ga2+ atoms.

Publication Date:
Other Number(s):
mp-650841
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; GaBr2; Br-Ga
OSTI Identifier:
1281003
DOI:
10.17188/1281003

Citation Formats

The Materials Project. Materials Data on GaBr2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281003.
The Materials Project. Materials Data on GaBr2 by Materials Project. United States. doi:10.17188/1281003.
The Materials Project. 2020. "Materials Data on GaBr2 by Materials Project". United States. doi:10.17188/1281003. https://www.osti.gov/servlets/purl/1281003. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1281003,
title = {Materials Data on GaBr2 by Materials Project},
author = {The Materials Project},
abstractNote = {GaBr2 crystallizes in the trigonal R3c space group. The structure is one-dimensional and consists of nine GaBr2 ribbons oriented in the (0, 0, 1) direction. there are two inequivalent Ga2+ sites. In the first Ga2+ site, Ga2+ is bonded in a 2-coordinate geometry to three Br1- atoms. There are a spread of Ga–Br bond distances ranging from 3.20–3.33 Å. In the second Ga2+ site, Ga2+ is bonded in a tetrahedral geometry to four Br1- atoms. There are a spread of Ga–Br bond distances ranging from 2.36–2.38 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted single-bond geometry to two Ga2+ atoms. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Ga2+ atom. In the third Br1- site, Br1- is bonded in a single-bond geometry to two Ga2+ atoms. In the fourth Br1- site, Br1- is bonded in a distorted single-bond geometry to two Ga2+ atoms.},
doi = {10.17188/1281003},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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