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Title: Materials Data on ErAlB4 by Materials Project

Abstract

ErAlB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Er3+ is bonded in a 2-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Er–B bond distances ranging from 2.62–2.74 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 2.28–2.37 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Er3+, four equivalent Al3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.73–1.75 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Er3+, two equivalent Al3+, and three B+1.50- atoms. There is one shorter (1.74 Å) and one longer (1.86 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Er3+, two equivalent Al3+, and three B+1.50- atoms. There is one shorter (1.76 Å) and one longer (1.88 Å) B–B bond length. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Er3+, two equivalent Al3+, and three B+1.50- atoms.

Publication Date:
Other Number(s):
mp-1213107
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; ErAlB4; Al-B-Er
OSTI Identifier:
1651939
DOI:
https://doi.org/10.17188/1651939

Citation Formats

The Materials Project. Materials Data on ErAlB4 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1651939.
The Materials Project. Materials Data on ErAlB4 by Materials Project. United States. doi:https://doi.org/10.17188/1651939
The Materials Project. 2019. "Materials Data on ErAlB4 by Materials Project". United States. doi:https://doi.org/10.17188/1651939. https://www.osti.gov/servlets/purl/1651939. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1651939,
title = {Materials Data on ErAlB4 by Materials Project},
author = {The Materials Project},
abstractNote = {ErAlB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Er3+ is bonded in a 2-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Er–B bond distances ranging from 2.62–2.74 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 2.28–2.37 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Er3+, four equivalent Al3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.73–1.75 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Er3+, two equivalent Al3+, and three B+1.50- atoms. There is one shorter (1.74 Å) and one longer (1.86 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Er3+, two equivalent Al3+, and three B+1.50- atoms. There is one shorter (1.76 Å) and one longer (1.88 Å) B–B bond length. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Er3+, two equivalent Al3+, and three B+1.50- atoms.},
doi = {10.17188/1651939},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}