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Title: 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.

Authors:
Publication Date:
Other Number(s):
mp-973540
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; LuAlB4; Al-B-Lu
OSTI Identifier:
1314137
DOI:
https://doi.org/10.17188/1314137

Citation Formats

The Materials Project. Materials Data on LuAlB4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1314137.
The Materials Project. Materials Data on LuAlB4 by Materials Project. United States. doi:https://doi.org/10.17188/1314137
The Materials Project. 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 00:00:00 EDT 2020
@article{osti_1314137,
title = {Materials Data on LuAlB4 by Materials Project},
author = {The 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}
}