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Title: Materials Data on YbAlB4 by Materials Project

Abstract

YbAlB4 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Yb3+ is bonded in a 2-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Yb–B bond distances ranging from 2.63–2.74 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 2.26–2.37 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 Yb3+, two equivalent Al3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.76–1.89 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Yb3+, two equivalent Al3+, and three B+1.50- atoms. The B–B bond length is 1.79 Å. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Yb3+, four equivalent Al3+, and three B+1.50- atoms. The B–B bond length is 1.74 Å.

Publication Date:
Other Number(s):
mp-1095659
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; YbAlB4; Al-B-Yb
OSTI Identifier:
1727215
DOI:
https://doi.org/10.17188/1727215

Citation Formats

The Materials Project. Materials Data on YbAlB4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1727215.
The Materials Project. Materials Data on YbAlB4 by Materials Project. United States. doi:https://doi.org/10.17188/1727215
The Materials Project. 2020. "Materials Data on YbAlB4 by Materials Project". United States. doi:https://doi.org/10.17188/1727215. https://www.osti.gov/servlets/purl/1727215. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1727215,
title = {Materials Data on YbAlB4 by Materials Project},
author = {The Materials Project},
abstractNote = {YbAlB4 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Yb3+ is bonded in a 2-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Yb–B bond distances ranging from 2.63–2.74 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 2.26–2.37 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 Yb3+, two equivalent Al3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.76–1.89 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Yb3+, two equivalent Al3+, and three B+1.50- atoms. The B–B bond length is 1.79 Å. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Yb3+, four equivalent Al3+, and three B+1.50- atoms. The B–B bond length is 1.74 Å.},
doi = {10.17188/1727215},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}