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Title: Materials Data on B(HO)2 by Materials Project

Abstract

B(OH)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight dihydroxyboron molecules. B is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.37 Å) and one longer (1.38 Å) B–O bond length. There are two inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.97 Å. In the second H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.97 Å. There are two inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one B and one H atom. In the second O site, O is bonded in a bent 120 degrees geometry to one B and one H atom.

Publication Date:
Other Number(s):
mp-1214847
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; B(HO)2; B-H-O
OSTI Identifier:
1723143
DOI:
https://doi.org/10.17188/1723143

Citation Formats

The Materials Project. Materials Data on B(HO)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1723143.
The Materials Project. Materials Data on B(HO)2 by Materials Project. United States. doi:https://doi.org/10.17188/1723143
The Materials Project. 2020. "Materials Data on B(HO)2 by Materials Project". United States. doi:https://doi.org/10.17188/1723143. https://www.osti.gov/servlets/purl/1723143. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1723143,
title = {Materials Data on B(HO)2 by Materials Project},
author = {The Materials Project},
abstractNote = {B(OH)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight dihydroxyboron molecules. B is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.37 Å) and one longer (1.38 Å) B–O bond length. There are two inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.97 Å. In the second H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.97 Å. There are two inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one B and one H atom. In the second O site, O is bonded in a bent 120 degrees geometry to one B and one H atom.},
doi = {10.17188/1723143},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}