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Title: Materials Data on GaBH6 by Materials Project

Abstract

GaH2BH4 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of twelve ac1laync molecules and twelve BH4 clusters. In each BH4 cluster, B3- is bonded in a tetrahedral geometry to four H atoms. There is two shorter (1.22 Å) and two longer (1.25 Å) B–H bond length. There are two inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one B3- atom. In the second H site, H is bonded in a single-bond geometry to one B3- atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-30150
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; GaBH6; B-Ga-H
OSTI Identifier:
1204567
DOI:
10.17188/1204567

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on GaBH6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204567.
Persson, Kristin, & Project, Materials. Materials Data on GaBH6 by Materials Project. United States. doi:10.17188/1204567.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on GaBH6 by Materials Project". United States. doi:10.17188/1204567. https://www.osti.gov/servlets/purl/1204567. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1204567,
title = {Materials Data on GaBH6 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {GaH2BH4 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of twelve ac1laync molecules and twelve BH4 clusters. In each BH4 cluster, B3- is bonded in a tetrahedral geometry to four H atoms. There is two shorter (1.22 Å) and two longer (1.25 Å) B–H bond length. There are two inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one B3- atom. In the second H site, H is bonded in a single-bond geometry to one B3- atom.},
doi = {10.17188/1204567},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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