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Title: Materials Data on LiBO2 by Materials Project

Abstract

LiBO2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 1.99–2.49 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.33–1.42 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent B3+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Li1+ and one B3+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-3635
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; LiBO2; B-Li-O
OSTI Identifier:
1207166
DOI:
10.17188/1207166

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on LiBO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207166.
Persson, Kristin, & Project, Materials. Materials Data on LiBO2 by Materials Project. United States. doi:10.17188/1207166.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on LiBO2 by Materials Project". United States. doi:10.17188/1207166. https://www.osti.gov/servlets/purl/1207166. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1207166,
title = {Materials Data on LiBO2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {LiBO2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 1.99–2.49 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.33–1.42 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent B3+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Li1+ and one B3+ atom.},
doi = {10.17188/1207166},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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