U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mg16PaAl12 by Materials Project
Abstract
Mg16PaAl12 crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five equivalent Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.02–3.16 Å. There are a spread of Mg–Al bond distances ranging from 2.86–3.19 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to three equivalent Mg, one Pa, and six equivalent Al atoms. The Mg–Pa bond length is 3.30 Å. All Mg–Al bond lengths are 3.18 Å. Pa is bonded in a 4-coordinate geometry to four equivalent Mg and twelve equivalent Al atoms. All Pa–Al bond lengths are 3.21 Å. Al is bonded in a 11-coordinate geometry to seven Mg, one Pa, and three equivalent Al atoms. There are one shorter (2.70 Å) and two longer (2.76 Å) Al–Al bond lengths.
- Publication Date:
- Other Number(s):
- mp-1185725
- 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-Mg-Pa; crystal structure; Mg16PaAl12
- OSTI Identifier:
- 1711041
- DOI:
- https://doi.org/10.17188/1711041
Citation Formats
Materials Data on Mg16PaAl12 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1711041.
Materials Data on Mg16PaAl12 by Materials Project. United States. doi:https://doi.org/10.17188/1711041
2019.
"Materials Data on Mg16PaAl12 by Materials Project". United States. doi:https://doi.org/10.17188/1711041. https://www.osti.gov/servlets/purl/1711041. Pub date:Thu Jan 10 19:00:00 EST 2019
@article{osti_1711041,
title = {Materials Data on Mg16PaAl12 by Materials Project},
abstractNote = {Mg16PaAl12 crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five equivalent Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.02–3.16 Å. There are a spread of Mg–Al bond distances ranging from 2.86–3.19 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to three equivalent Mg, one Pa, and six equivalent Al atoms. The Mg–Pa bond length is 3.30 Å. All Mg–Al bond lengths are 3.18 Å. Pa is bonded in a 4-coordinate geometry to four equivalent Mg and twelve equivalent Al atoms. All Pa–Al bond lengths are 3.21 Å. Al is bonded in a 11-coordinate geometry to seven Mg, one Pa, and three equivalent Al atoms. There are one shorter (2.70 Å) and two longer (2.76 Å) Al–Al bond lengths.},
doi = {10.17188/1711041},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}