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Title: Materials Data on B5H9 by Materials Project

Abstract

B5H9 is Cubic alpha N2-like structured and crystallizes in the tetragonal I4mm space group. The structure is zero-dimensional and consists of two boranediylradical molecules and two BH2 clusters. In each BH2 cluster, B+1.80- is bonded in a distorted trigonal non-coplanar geometry to three H1+ atoms. There is one shorter (1.19 Å) and two longer (1.35 Å) B–H bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one B+1.80- atom. In the second H1+ site, H1+ is bonded in an L-shaped geometry to two equivalent B+1.80- atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-696597
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; B5H9; B-H
OSTI Identifier:
1285016
DOI:
10.17188/1285016

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on B5H9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1285016.
Persson, Kristin, & Project, Materials. Materials Data on B5H9 by Materials Project. United States. doi:10.17188/1285016.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on B5H9 by Materials Project". United States. doi:10.17188/1285016. https://www.osti.gov/servlets/purl/1285016. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1285016,
title = {Materials Data on B5H9 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {B5H9 is Cubic alpha N2-like structured and crystallizes in the tetragonal I4mm space group. The structure is zero-dimensional and consists of two boranediylradical molecules and two BH2 clusters. In each BH2 cluster, B+1.80- is bonded in a distorted trigonal non-coplanar geometry to three H1+ atoms. There is one shorter (1.19 Å) and two longer (1.35 Å) B–H bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one B+1.80- atom. In the second H1+ site, H1+ is bonded in an L-shaped geometry to two equivalent B+1.80- atoms.},
doi = {10.17188/1285016},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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