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Title: Materials Data on BaLiH3 by Materials Project

Abstract

LiBaH3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one lithium molecule and one BaH3 framework. In the BaH3 framework, Ba2+ is bonded to six equivalent H1- atoms to form corner-sharing BaH6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ba–H bond lengths are 2.53 Å. H1- is bonded in a linear geometry to two equivalent Ba2+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-632808
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; BaLiH3; Ba-H-Li
OSTI Identifier:
1279350
DOI:
10.17188/1279350

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on BaLiH3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279350.
Persson, Kristin, & Project, Materials. Materials Data on BaLiH3 by Materials Project. United States. doi:10.17188/1279350.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on BaLiH3 by Materials Project". United States. doi:10.17188/1279350. https://www.osti.gov/servlets/purl/1279350. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1279350,
title = {Materials Data on BaLiH3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {LiBaH3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one lithium molecule and one BaH3 framework. In the BaH3 framework, Ba2+ is bonded to six equivalent H1- atoms to form corner-sharing BaH6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ba–H bond lengths are 2.53 Å. H1- is bonded in a linear geometry to two equivalent Ba2+ atoms.},
doi = {10.17188/1279350},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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