Materials Data on LiCaH3 by Materials Project
Abstract
LiCaH3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Li1+ is bonded to six equivalent H1- atoms to form corner-sharing LiH6 octahedra. The corner-sharing octahedral tilt angles are 17°. All Li–H bond lengths are 1.85 Å. Ca2+ is bonded in a 9-coordinate geometry to nine equivalent H1- atoms. There are three shorter (2.34 Å) and six longer (2.57 Å) Ca–H bond lengths. H1- is bonded in a 5-coordinate geometry to two equivalent Li1+ and three equivalent Ca2+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1079935
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; LiCaH3; Ca-H-Li
- OSTI Identifier:
- 1753282
- DOI:
- https://doi.org/10.17188/1753282
Citation Formats
The Materials Project. Materials Data on LiCaH3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1753282.
The Materials Project. Materials Data on LiCaH3 by Materials Project. United States. doi:https://doi.org/10.17188/1753282
The Materials Project. 2020.
"Materials Data on LiCaH3 by Materials Project". United States. doi:https://doi.org/10.17188/1753282. https://www.osti.gov/servlets/purl/1753282. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1753282,
title = {Materials Data on LiCaH3 by Materials Project},
author = {The Materials Project},
abstractNote = {LiCaH3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Li1+ is bonded to six equivalent H1- atoms to form corner-sharing LiH6 octahedra. The corner-sharing octahedral tilt angles are 17°. All Li–H bond lengths are 1.85 Å. Ca2+ is bonded in a 9-coordinate geometry to nine equivalent H1- atoms. There are three shorter (2.34 Å) and six longer (2.57 Å) Ca–H bond lengths. H1- is bonded in a 5-coordinate geometry to two equivalent Li1+ and three equivalent Ca2+ atoms.},
doi = {10.17188/1753282},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon May 04 00:00:00 EDT 2020},
month = {Mon May 04 00:00:00 EDT 2020}
}
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