U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ce(Mg4Al3)4 by Materials Project
Abstract
Ce(Mg4Al3)4 is gamma-brass-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded in a 10-coordinate geometry to three equivalent Mg, one Ce, and twelve Al atoms. All Mg–Mg bond lengths are 3.17 Å. The Mg–Ce bond length is 3.33 Å. There are a spread of Mg–Al bond distances ranging from 3.13–3.25 Å. In the second Mg site, Mg is bonded in a 3-coordinate geometry to seven Mg, one Ce, and five Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.06–3.30 Å. The Mg–Ce bond length is 3.59 Å. There are a spread of Mg–Al bond distances ranging from 2.89–3.21 Å. In the third Mg site, Mg is bonded in a 1-coordinate geometry to seven Mg, one Ce, and five Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.12–3.37 Å. The Mg–Ce bond length is 3.14 Å. There are a spread of Mg–Al bond distances ranging from 2.80–3.18 Å. In the fourth Mg site, Mg is bonded in a 11-coordinate geometry to five Mg and six Al atoms. Both Mg–Mg bond lengths are 3.06 Å.more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1183866
- 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; Ce(Mg4Al3)4; Al-Ce-Mg
- OSTI Identifier:
- 1749630
- DOI:
- https://doi.org/10.17188/1749630
Citation Formats
The Materials Project. Materials Data on Ce(Mg4Al3)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1749630.
The Materials Project. Materials Data on Ce(Mg4Al3)4 by Materials Project. United States. doi:https://doi.org/10.17188/1749630
The Materials Project. 2020.
"Materials Data on Ce(Mg4Al3)4 by Materials Project". United States. doi:https://doi.org/10.17188/1749630. https://www.osti.gov/servlets/purl/1749630. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1749630,
title = {Materials Data on Ce(Mg4Al3)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce(Mg4Al3)4 is gamma-brass-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded in a 10-coordinate geometry to three equivalent Mg, one Ce, and twelve Al atoms. All Mg–Mg bond lengths are 3.17 Å. The Mg–Ce bond length is 3.33 Å. There are a spread of Mg–Al bond distances ranging from 3.13–3.25 Å. In the second Mg site, Mg is bonded in a 3-coordinate geometry to seven Mg, one Ce, and five Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.06–3.30 Å. The Mg–Ce bond length is 3.59 Å. There are a spread of Mg–Al bond distances ranging from 2.89–3.21 Å. In the third Mg site, Mg is bonded in a 1-coordinate geometry to seven Mg, one Ce, and five Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.12–3.37 Å. The Mg–Ce bond length is 3.14 Å. There are a spread of Mg–Al bond distances ranging from 2.80–3.18 Å. In the fourth Mg site, Mg is bonded in a 11-coordinate geometry to five Mg and six Al atoms. Both Mg–Mg bond lengths are 3.06 Å. There are a spread of Mg–Al bond distances ranging from 3.05–3.14 Å. In the fifth Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five Al atoms. Both Mg–Mg bond lengths are 3.06 Å. There are a spread of Mg–Al bond distances ranging from 2.95–3.32 Å. Ce is bonded in a 12-coordinate geometry to seven Mg and nine Al atoms. There are six shorter (3.23 Å) and three longer (3.26 Å) Ce–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to eight Mg, one Ce, and three Al atoms. There are one shorter (2.67 Å) and two longer (2.76 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 11-coordinate geometry to eight Mg and three Al atoms. Both Al–Al bond lengths are 2.75 Å. In the third Al site, Al is bonded in a 11-coordinate geometry to seven Mg, one Ce, and three Al atoms. There are one shorter (2.72 Å) and one longer (2.81 Å) Al–Al bond lengths.},
doi = {10.17188/1749630},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}