U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiAlB4 by Materials Project
Abstract
LiAlB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Li is bonded in a 6-coordinate geometry to fourteen B atoms. There are a spread of Li–B bond distances ranging from 2.51–2.72 Å. Al is bonded in a 10-coordinate geometry to ten B atoms. There are a spread of Al–B bond distances ranging from 2.19–2.32 Å. There are four inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to four equivalent Li, two equivalent Al, and three B atoms. There are a spread of B–B bond distances ranging from 1.69–1.90 Å. In the second B site, B is bonded in a 9-coordinate geometry to two equivalent Li, four equivalent Al, and three B atoms. There is one shorter (1.73 Å) and one longer (1.78 Å) B–B bond length. In the third B site, B is bonded in a 9-coordinate geometry to four equivalent Li, two equivalent Al, and three B atoms. There is one shorter (1.69 Å) and one longer (1.83 Å) B–B bond length. In the fourth B site, B is bonded in a 9-coordinate geometry to four equivalent Li, two equivalent Al, and three B atoms.
- Publication Date:
- Other Number(s):
- mp-995282
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Al-B-Li; LiAlB4; crystal structure
- OSTI Identifier:
- 1317050
- DOI:
- https://doi.org/10.17188/1317050
Citation Formats
Materials Data on LiAlB4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1317050.
Materials Data on LiAlB4 by Materials Project. United States. doi:https://doi.org/10.17188/1317050
2020.
"Materials Data on LiAlB4 by Materials Project". United States. doi:https://doi.org/10.17188/1317050. https://www.osti.gov/servlets/purl/1317050. Pub date:Fri May 01 04:00:00 UTC 2020
@article{osti_1317050,
title = {Materials Data on LiAlB4 by Materials Project},
abstractNote = {LiAlB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Li is bonded in a 6-coordinate geometry to fourteen B atoms. There are a spread of Li–B bond distances ranging from 2.51–2.72 Å. Al is bonded in a 10-coordinate geometry to ten B atoms. There are a spread of Al–B bond distances ranging from 2.19–2.32 Å. There are four inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to four equivalent Li, two equivalent Al, and three B atoms. There are a spread of B–B bond distances ranging from 1.69–1.90 Å. In the second B site, B is bonded in a 9-coordinate geometry to two equivalent Li, four equivalent Al, and three B atoms. There is one shorter (1.73 Å) and one longer (1.78 Å) B–B bond length. In the third B site, B is bonded in a 9-coordinate geometry to four equivalent Li, two equivalent Al, and three B atoms. There is one shorter (1.69 Å) and one longer (1.83 Å) B–B bond length. In the fourth B site, B is bonded in a 9-coordinate geometry to four equivalent Li, two equivalent Al, and three B atoms.},
doi = {10.17188/1317050},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}