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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