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Title: Materials Data on LiBH by Materials Project

Abstract

LiBH crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two LiBH sheets oriented in the (0, 1, 0) direction. Li is bonded in a 3-coordinate geometry to three equivalent H atoms. There are two shorter (1.94 Å) and one longer (2.07 Å) Li–H bond lengths. B is bonded in a distorted single-bond geometry to one H atom. The B–H bond length is 1.28 Å. H is bonded to three equivalent Li and one B atom to form corner-sharing HLi3B trigonal pyramids.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-23694
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; LiBH; B-H-Li
OSTI Identifier:
1199665
DOI:
10.17188/1199665

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on LiBH by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1199665.
Persson, Kristin, & Project, Materials. Materials Data on LiBH by Materials Project. United States. doi:10.17188/1199665.
Persson, Kristin, and Project, Materials. 2017. "Materials Data on LiBH by Materials Project". United States. doi:10.17188/1199665. https://www.osti.gov/servlets/purl/1199665. Pub date:Fri May 12 00:00:00 EDT 2017
@article{osti_1199665,
title = {Materials Data on LiBH by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {LiBH crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two LiBH sheets oriented in the (0, 1, 0) direction. Li is bonded in a 3-coordinate geometry to three equivalent H atoms. There are two shorter (1.94 Å) and one longer (2.07 Å) Li–H bond lengths. B is bonded in a distorted single-bond geometry to one H atom. The B–H bond length is 1.28 Å. H is bonded to three equivalent Li and one B atom to form corner-sharing HLi3B trigonal pyramids.},
doi = {10.17188/1199665},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}

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