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Title: Materials Data on BHO2 by Materials Project

Abstract

HBO2 crystallizes in the cubic P-43n space group. The structure is three-dimensional. B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.45–1.53 Å. H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.05 Å) and one longer (1.46 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent B3+ and one H1+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to two equivalent B3+ and one H1+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-721851
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; BHO2; B-H-O
OSTI Identifier:
1287410
DOI:
10.17188/1287410

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on BHO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287410.
Persson, Kristin, & Project, Materials. Materials Data on BHO2 by Materials Project. United States. doi:10.17188/1287410.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on BHO2 by Materials Project". United States. doi:10.17188/1287410. https://www.osti.gov/servlets/purl/1287410. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1287410,
title = {Materials Data on BHO2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {HBO2 crystallizes in the cubic P-43n space group. The structure is three-dimensional. B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.45–1.53 Å. H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.05 Å) and one longer (1.46 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent B3+ and one H1+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to two equivalent B3+ and one H1+ atom.},
doi = {10.17188/1287410},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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