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.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1213107
- 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; 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}
}