Materials Data on ErAlB14 by Materials Project
Abstract
ErAlB14 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Er3+ is bonded in a 12-coordinate geometry to sixteen B+0.43- atoms. There are a spread of Er–B bond distances ranging from 2.54–2.85 Å. Al3+ is bonded to twelve B+0.43- atoms to form distorted face-sharing AlB12 cuboctahedra. There are a spread of Al–B bond distances ranging from 2.11–2.43 Å. There are five inequivalent B+0.43- sites. In the first B+0.43- site, B+0.43- is bonded in a 1-coordinate geometry to one Er3+ and six B+0.43- atoms. There are a spread of B–B bond distances ranging from 1.73–1.85 Å. In the second B+0.43- site, B+0.43- is bonded in a 7-coordinate geometry to one Er3+, two equivalent Al3+, and four B+0.43- atoms. There are a spread of B–B bond distances ranging from 1.75–2.21 Å. In the third B+0.43- site, B+0.43- is bonded in a 8-coordinate geometry to two equivalent Al3+ and six B+0.43- atoms. There is two shorter (1.76 Å) and two longer (1.85 Å) B–B bond length. In the fourth B+0.43- site, B+0.43- is bonded in a 8-coordinate geometry to two equivalent Er3+ and six B+0.43- atoms. There are a spread of B–B bond distances ranging frommore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1198758
- 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; ErAlB14; Al-B-Er
- OSTI Identifier:
- 1759193
- DOI:
- https://doi.org/10.17188/1759193
Citation Formats
The Materials Project. Materials Data on ErAlB14 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1759193.
The Materials Project. Materials Data on ErAlB14 by Materials Project. United States. doi:https://doi.org/10.17188/1759193
The Materials Project. 2020.
"Materials Data on ErAlB14 by Materials Project". United States. doi:https://doi.org/10.17188/1759193. https://www.osti.gov/servlets/purl/1759193. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1759193,
title = {Materials Data on ErAlB14 by Materials Project},
author = {The Materials Project},
abstractNote = {ErAlB14 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Er3+ is bonded in a 12-coordinate geometry to sixteen B+0.43- atoms. There are a spread of Er–B bond distances ranging from 2.54–2.85 Å. Al3+ is bonded to twelve B+0.43- atoms to form distorted face-sharing AlB12 cuboctahedra. There are a spread of Al–B bond distances ranging from 2.11–2.43 Å. There are five inequivalent B+0.43- sites. In the first B+0.43- site, B+0.43- is bonded in a 1-coordinate geometry to one Er3+ and six B+0.43- atoms. There are a spread of B–B bond distances ranging from 1.73–1.85 Å. In the second B+0.43- site, B+0.43- is bonded in a 7-coordinate geometry to one Er3+, two equivalent Al3+, and four B+0.43- atoms. There are a spread of B–B bond distances ranging from 1.75–2.21 Å. In the third B+0.43- site, B+0.43- is bonded in a 8-coordinate geometry to two equivalent Al3+ and six B+0.43- atoms. There is two shorter (1.76 Å) and two longer (1.85 Å) B–B bond length. In the fourth B+0.43- site, B+0.43- is bonded in a 8-coordinate geometry to two equivalent Er3+ and six B+0.43- atoms. There are a spread of B–B bond distances ranging from 1.78–1.92 Å. In the fifth B+0.43- site, B+0.43- is bonded in a 8-coordinate geometry to one Er3+, one Al3+, and six B+0.43- atoms. The B–B bond length is 1.85 Å.},
doi = {10.17188/1759193},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Sep 03 00:00:00 EDT 2020},
month = {Thu Sep 03 00:00:00 EDT 2020}
}