U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mg5Si6 by Materials Project
Abstract
Mg5Si6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 4-coordinate geometry to four Mg and four equivalent Si atoms. There are two shorter (2.81 Å) and two longer (2.88 Å) Mg–Mg bond lengths. All Mg–Si bond lengths are 2.98 Å. In the second Mg site, Mg is bonded in a 9-coordinate geometry to one Mg and eight Si atoms. There are a spread of Mg–Si bond distances ranging from 2.81–3.06 Å. In the third Mg site, Mg is bonded in a 8-coordinate geometry to one Mg and eight Si atoms. There are a spread of Mg–Si bond distances ranging from 2.81–2.95 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 10-coordinate geometry to eight Mg and two Si atoms. There are one shorter (2.54 Å) and one longer (2.65 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 8-coordinate geometry to five Mg and three equivalent Si atoms. There are one shorter (2.49 Å) and two longer (2.59 Å) Si–Si bond lengths. In the third Si site, Simore »
- Publication Date:
- Other Number(s):
- mp-31404
- 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; Mg-Si; Mg5Si6; crystal structure
- OSTI Identifier:
- 1205630
- DOI:
- https://doi.org/10.17188/1205630
Citation Formats
Materials Data on Mg5Si6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1205630.
Materials Data on Mg5Si6 by Materials Project. United States. doi:https://doi.org/10.17188/1205630
2020.
"Materials Data on Mg5Si6 by Materials Project". United States. doi:https://doi.org/10.17188/1205630. https://www.osti.gov/servlets/purl/1205630. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1205630,
title = {Materials Data on Mg5Si6 by Materials Project},
abstractNote = {Mg5Si6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 4-coordinate geometry to four Mg and four equivalent Si atoms. There are two shorter (2.81 Å) and two longer (2.88 Å) Mg–Mg bond lengths. All Mg–Si bond lengths are 2.98 Å. In the second Mg site, Mg is bonded in a 9-coordinate geometry to one Mg and eight Si atoms. There are a spread of Mg–Si bond distances ranging from 2.81–3.06 Å. In the third Mg site, Mg is bonded in a 8-coordinate geometry to one Mg and eight Si atoms. There are a spread of Mg–Si bond distances ranging from 2.81–2.95 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 10-coordinate geometry to eight Mg and two Si atoms. There are one shorter (2.54 Å) and one longer (2.65 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 8-coordinate geometry to five Mg and three equivalent Si atoms. There are one shorter (2.49 Å) and two longer (2.59 Å) Si–Si bond lengths. In the third Si site, Si is bonded in a 9-coordinate geometry to five Mg and four Si atoms.},
doi = {10.17188/1205630},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}