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Title: Materials Data on LiBeB by Materials Project

Abstract

LiBeB crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one LiBeB sheet oriented in the (0, 0, 1) direction. Li1+ is bonded in a 3-coordinate geometry to three equivalent B3- atoms. There are one shorter (2.28 Å) and two longer (2.33 Å) Li–B bond lengths. Be2+ is bonded to four equivalent B3- atoms to form a mixture of distorted edge and corner-sharing BeB4 tetrahedra. There are a spread of Be–B bond distances ranging from 1.88–1.96 Å. B3- is bonded in a 9-coordinate geometry to three equivalent Li1+, four equivalent Be2+, and two equivalent B3- atoms. Both B–B bond lengths are 1.74 Å.

Publication Date:
Other Number(s):
mp-1018783
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; LiBeB; B-Be-Li
OSTI Identifier:
1350477
DOI:
10.17188/1350477

Citation Formats

The Materials Project. Materials Data on LiBeB by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1350477.
The Materials Project. Materials Data on LiBeB by Materials Project. United States. doi:10.17188/1350477.
The Materials Project. 2020. "Materials Data on LiBeB by Materials Project". United States. doi:10.17188/1350477. https://www.osti.gov/servlets/purl/1350477. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1350477,
title = {Materials Data on LiBeB by Materials Project},
author = {The Materials Project},
abstractNote = {LiBeB crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one LiBeB sheet oriented in the (0, 0, 1) direction. Li1+ is bonded in a 3-coordinate geometry to three equivalent B3- atoms. There are one shorter (2.28 Å) and two longer (2.33 Å) Li–B bond lengths. Be2+ is bonded to four equivalent B3- atoms to form a mixture of distorted edge and corner-sharing BeB4 tetrahedra. There are a spread of Be–B bond distances ranging from 1.88–1.96 Å. B3- is bonded in a 9-coordinate geometry to three equivalent Li1+, four equivalent Be2+, and two equivalent B3- atoms. Both B–B bond lengths are 1.74 Å.},
doi = {10.17188/1350477},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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