U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ca2Al25Cr by Materials Project
Abstract
(Ca)2CrAl24Al crystallizes in the cubic Fd-3m space group. The structure is three-dimensional and consists of eight aluminum molecules, sixteen calcium molecules, and one CrAl24 framework. In the CrAl24 framework, Cr is bonded in a 12-coordinate geometry to twelve equivalent Al atoms. All Cr–Al bond lengths are 3.11 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 5-coordinate geometry to seven Al atoms. There are a spread of Al–Al bond distances ranging from 2.65–3.04 Å. In the second Al site, Al is bonded in a 8-coordinate geometry to one Cr and seven Al atoms. There are one shorter (2.62 Å) and two longer (2.68 Å) Al–Al bond lengths.
- Publication Date:
- Other Number(s):
- mp-1215151
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Al-Ca-Cr; Ca2Al25Cr; crystal structure
- OSTI Identifier:
- 1698729
- DOI:
- https://doi.org/10.17188/1698729
Citation Formats
Materials Data on Ca2Al25Cr by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1698729.
Materials Data on Ca2Al25Cr by Materials Project. United States. doi:https://doi.org/10.17188/1698729
2019.
"Materials Data on Ca2Al25Cr by Materials Project". United States. doi:https://doi.org/10.17188/1698729. https://www.osti.gov/servlets/purl/1698729. Pub date:Fri Jan 11 23:00:00 EST 2019
@article{osti_1698729,
title = {Materials Data on Ca2Al25Cr by Materials Project},
abstractNote = {(Ca)2CrAl24Al crystallizes in the cubic Fd-3m space group. The structure is three-dimensional and consists of eight aluminum molecules, sixteen calcium molecules, and one CrAl24 framework. In the CrAl24 framework, Cr is bonded in a 12-coordinate geometry to twelve equivalent Al atoms. All Cr–Al bond lengths are 3.11 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 5-coordinate geometry to seven Al atoms. There are a spread of Al–Al bond distances ranging from 2.65–3.04 Å. In the second Al site, Al is bonded in a 8-coordinate geometry to one Cr and seven Al atoms. There are one shorter (2.62 Å) and two longer (2.68 Å) Al–Al bond lengths.},
doi = {10.17188/1698729},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}
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