U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mg16Al12V by Materials Project
Abstract
Mg16VAl12 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 10-coordinate geometry to three equivalent Mg, one V, and six equivalent Al atoms. All Mg–Mg bond lengths are 3.05 Å. The Mg–V bond length is 3.08 Å. All Mg–Al bond lengths are 3.05 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five equivalent Al atoms. There are two shorter (3.12 Å) and four longer (3.14 Å) Mg–Mg bond lengths. There are a spread of Mg–Al bond distances ranging from 2.91–3.16 Å. V is bonded in a 4-coordinate geometry to four equivalent Mg and twelve equivalent Al atoms. All V–Al bond lengths are 3.16 Å. Al is bonded in a 11-coordinate geometry to seven Mg, one V, and three equivalent Al atoms. There are one shorter (2.65 Å) and two longer (2.73 Å) Al–Al bond lengths.
- Publication Date:
- Other Number(s):
- mp-1185723
- 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-V; Mg16Al12V; crystal structure
- OSTI Identifier:
- 1711986
- DOI:
- https://doi.org/10.17188/1711986
Citation Formats
Materials Data on Mg16Al12V by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1711986.
Materials Data on Mg16Al12V by Materials Project. United States. doi:https://doi.org/10.17188/1711986
2020.
"Materials Data on Mg16Al12V by Materials Project". United States. doi:https://doi.org/10.17188/1711986. https://www.osti.gov/servlets/purl/1711986. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1711986,
title = {Materials Data on Mg16Al12V by Materials Project},
abstractNote = {Mg16VAl12 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 10-coordinate geometry to three equivalent Mg, one V, and six equivalent Al atoms. All Mg–Mg bond lengths are 3.05 Å. The Mg–V bond length is 3.08 Å. All Mg–Al bond lengths are 3.05 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five equivalent Al atoms. There are two shorter (3.12 Å) and four longer (3.14 Å) Mg–Mg bond lengths. There are a spread of Mg–Al bond distances ranging from 2.91–3.16 Å. V is bonded in a 4-coordinate geometry to four equivalent Mg and twelve equivalent Al atoms. All V–Al bond lengths are 3.16 Å. Al is bonded in a 11-coordinate geometry to seven Mg, one V, and three equivalent Al atoms. There are one shorter (2.65 Å) and two longer (2.73 Å) Al–Al bond lengths.},
doi = {10.17188/1711986},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}