U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MgSi by Materials Project
Abstract
MgSi crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 6-coordinate geometry to seven Si atoms. There are a spread of Mg–Si bond distances ranging from 2.77–3.14 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to seven Si atoms. There are a spread of Mg–Si bond distances ranging from 2.74–2.95 Å. In the third Mg site, Mg is bonded in a 7-coordinate geometry to seven Si atoms. There are a spread of Mg–Si bond distances ranging from 2.80–3.10 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 10-coordinate geometry to seven Mg and three Si atoms. There are a spread of Si–Si bond distances ranging from 2.49–2.92 Å. In the second Si site, Si is bonded in a 10-coordinate geometry to seven Mg and three Si atoms. There are one shorter (2.56 Å) and one longer (2.77 Å) Si–Si bond lengths. In the third Si site, Si is bonded in a 1-coordinate geometry to seven Mg and four Si atoms. The Si–Si bond length is 2.62 Å.
- Publication Date:
- Other Number(s):
- mp-1073852
- 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; MgSi; crystal structure
- OSTI Identifier:
- 1664180
- DOI:
- https://doi.org/10.17188/1664180
Citation Formats
Materials Data on MgSi by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1664180.
Materials Data on MgSi by Materials Project. United States. doi:https://doi.org/10.17188/1664180
2020.
"Materials Data on MgSi by Materials Project". United States. doi:https://doi.org/10.17188/1664180. https://www.osti.gov/servlets/purl/1664180. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1664180,
title = {Materials Data on MgSi by Materials Project},
abstractNote = {MgSi crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 6-coordinate geometry to seven Si atoms. There are a spread of Mg–Si bond distances ranging from 2.77–3.14 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to seven Si atoms. There are a spread of Mg–Si bond distances ranging from 2.74–2.95 Å. In the third Mg site, Mg is bonded in a 7-coordinate geometry to seven Si atoms. There are a spread of Mg–Si bond distances ranging from 2.80–3.10 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 10-coordinate geometry to seven Mg and three Si atoms. There are a spread of Si–Si bond distances ranging from 2.49–2.92 Å. In the second Si site, Si is bonded in a 10-coordinate geometry to seven Mg and three Si atoms. There are one shorter (2.56 Å) and one longer (2.77 Å) Si–Si bond lengths. In the third Si site, Si is bonded in a 1-coordinate geometry to seven Mg and four Si atoms. The Si–Si bond length is 2.62 Å.},
doi = {10.17188/1664180},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}