U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LuAlB4 by Materials Project
Abstract
LuAlB4 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Lu3+ is bonded in a 2-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Lu–B bond distances ranging from 2.61–2.72 Å. Al3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Al–B bond distances ranging from 2.27–2.36 Å. There are three inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Lu3+, two equivalent Al3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.72–1.87 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Lu3+, four equivalent Al3+, and three B+1.50- atoms. The B–B bond length is 1.72 Å. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Lu3+, two equivalent Al3+, and three B+1.50- atoms. The B–B bond length is 1.76 Å.
- Publication Date:
- Other Number(s):
- mp-973540
- 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-Lu; LuAlB4; crystal structure
- OSTI Identifier:
- 1314137
- DOI:
- https://doi.org/10.17188/1314137
Citation Formats
Materials Data on LuAlB4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1314137.
Materials Data on LuAlB4 by Materials Project. United States. doi:https://doi.org/10.17188/1314137
2020.
"Materials Data on LuAlB4 by Materials Project". United States. doi:https://doi.org/10.17188/1314137. https://www.osti.gov/servlets/purl/1314137. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1314137,
title = {Materials Data on LuAlB4 by Materials Project},
abstractNote = {LuAlB4 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Lu3+ is bonded in a 2-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Lu–B bond distances ranging from 2.61–2.72 Å. Al3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Al–B bond distances ranging from 2.27–2.36 Å. There are three inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Lu3+, two equivalent Al3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.72–1.87 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Lu3+, four equivalent Al3+, and three B+1.50- atoms. The B–B bond length is 1.72 Å. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Lu3+, two equivalent Al3+, and three B+1.50- atoms. The B–B bond length is 1.76 Å.},
doi = {10.17188/1314137},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}