U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mg3Si4 by Materials Project
Abstract
Mg3Si4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to nine Si atoms. There are a spread of Mg–Si bond distances ranging from 2.80–3.13 Å. In the second Mg site, Mg is bonded in a 5-coordinate geometry to six Si atoms. There are a spread of Mg–Si bond distances ranging from 2.73–3.22 Å. In the third Mg site, Mg is bonded in a distorted square co-planar geometry to six Si atoms. There are a spread of Mg–Si bond distances ranging from 2.92–3.21 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to eight Si atoms. There are a spread of Mg–Si bond distances ranging from 2.78–2.83 Å. There are four inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four Mg and three Si atoms. There are two shorter (2.47 Å) and one longer (2.67 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 8-coordinate geometry to five Mg and three Si atoms. The Si–Si bond length is 2.41 Å. In the thirdmore »
- Publication Date:
- Other Number(s):
- mp-1075211
- 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; crystal structure; Mg-Si; Mg3Si4
- OSTI Identifier:
- 1652630
- DOI:
- https://doi.org/10.17188/1652630
Citation Formats
Materials Data on Mg3Si4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1652630.
Materials Data on Mg3Si4 by Materials Project. United States. doi:https://doi.org/10.17188/1652630
2020.
"Materials Data on Mg3Si4 by Materials Project". United States. doi:https://doi.org/10.17188/1652630. https://www.osti.gov/servlets/purl/1652630. Pub date:Sun May 03 20:00:00 EDT 2020
@article{osti_1652630,
title = {Materials Data on Mg3Si4 by Materials Project},
abstractNote = {Mg3Si4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to nine Si atoms. There are a spread of Mg–Si bond distances ranging from 2.80–3.13 Å. In the second Mg site, Mg is bonded in a 5-coordinate geometry to six Si atoms. There are a spread of Mg–Si bond distances ranging from 2.73–3.22 Å. In the third Mg site, Mg is bonded in a distorted square co-planar geometry to six Si atoms. There are a spread of Mg–Si bond distances ranging from 2.92–3.21 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to eight Si atoms. There are a spread of Mg–Si bond distances ranging from 2.78–2.83 Å. There are four inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four Mg and three Si atoms. There are two shorter (2.47 Å) and one longer (2.67 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 8-coordinate geometry to five Mg and three Si atoms. The Si–Si bond length is 2.41 Å. In the third Si site, Si is bonded in a 9-coordinate geometry to six Mg and three Si atoms. There are a spread of Si–Si bond distances ranging from 2.54–2.79 Å. In the fourth Si site, Si is bonded in a 9-coordinate geometry to seven Mg and two equivalent Si atoms.},
doi = {10.17188/1652630},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}