U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mg16Al12Si by Materials Project
Abstract
Mg16Al12Si 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 12-coordinate geometry to seven Mg and five Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.01–3.15 Å. There are a spread of Mg–Al bond distances ranging from 2.95–3.13 Å. In the second Mg site, Mg is bonded in a distorted single-bond geometry to three equivalent Mg, twelve Al, and one Si atom. All Mg–Mg bond lengths are 3.14 Å. There are a spread of Mg–Al bond distances ranging from 3.11–3.26 Å. The Mg–Si bond length is 2.77 Å. In the third Mg site, Mg is bonded in a 10-coordinate geometry to four Mg and six Al atoms. Both Mg–Mg bond lengths are 3.04 Å. There are a spread of Mg–Al bond distances ranging from 3.07–3.14 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to six Mg, five Al, and one Si atom. There are two shorter (3.19 Å) and two longer (3.29 Å) Mg–Mg bond lengths. There are a spread of Mg–Al bond distances ranging from 2.95–3.10 Å. The Mg–Si bond length ismore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1185706
- 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; Mg16Al12Si; Al-Mg-Si
- OSTI Identifier:
- 1696033
- DOI:
- https://doi.org/10.17188/1696033
Citation Formats
The Materials Project. Materials Data on Mg16Al12Si by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1696033.
The Materials Project. Materials Data on Mg16Al12Si by Materials Project. United States. doi:https://doi.org/10.17188/1696033
The Materials Project. 2020.
"Materials Data on Mg16Al12Si by Materials Project". United States. doi:https://doi.org/10.17188/1696033. https://www.osti.gov/servlets/purl/1696033. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1696033,
title = {Materials Data on Mg16Al12Si by Materials Project},
author = {The Materials Project},
abstractNote = {Mg16Al12Si 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 12-coordinate geometry to seven Mg and five Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.01–3.15 Å. There are a spread of Mg–Al bond distances ranging from 2.95–3.13 Å. In the second Mg site, Mg is bonded in a distorted single-bond geometry to three equivalent Mg, twelve Al, and one Si atom. All Mg–Mg bond lengths are 3.14 Å. There are a spread of Mg–Al bond distances ranging from 3.11–3.26 Å. The Mg–Si bond length is 2.77 Å. In the third Mg site, Mg is bonded in a 10-coordinate geometry to four Mg and six Al atoms. Both Mg–Mg bond lengths are 3.04 Å. There are a spread of Mg–Al bond distances ranging from 3.07–3.14 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to six Mg, five Al, and one Si atom. There are two shorter (3.19 Å) and two longer (3.29 Å) Mg–Mg bond lengths. There are a spread of Mg–Al bond distances ranging from 2.95–3.10 Å. The Mg–Si bond length is 3.04 Å. In the fifth Mg site, Mg is bonded in a 12-coordinate geometry to five Mg and five Al atoms. There are a spread of Mg–Al bond distances ranging from 2.88–3.12 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a distorted q6 geometry to eight Mg and three Al atoms. There are one shorter (2.69 Å) and two longer (2.79 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 2.77 Å. In the third Al site, Al is bonded in a 11-coordinate geometry to seven Mg, three Al, and one Si atom. There are one shorter (2.71 Å) and one longer (2.73 Å) Al–Al bond lengths. The Al–Si bond length is 2.91 Å. Si is bonded in a 10-coordinate geometry to four Mg and six equivalent Al atoms.},
doi = {10.17188/1696033},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}