U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MgSi2 by Materials Project
Abstract
MgSi2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Mg is bonded in a 8-coordinate geometry to three equivalent Mg and eleven Si atoms. There are two shorter (3.07 Å) and one longer (3.28 Å) Mg–Mg bond lengths. There are a spread of Mg–Si bond distances ranging from 2.84–3.26 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to five equivalent Mg and four Si atoms. There are three shorter (2.52 Å) and one longer (2.57 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 10-coordinate geometry to six equivalent Mg and four Si atoms. The Si–Si bond length is 2.48 Å.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1073254
- 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; MgSi2; Mg-Si
- OSTI Identifier:
- 1708046
- DOI:
- https://doi.org/10.17188/1708046
Citation Formats
The Materials Project. Materials Data on MgSi2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1708046.
The Materials Project. Materials Data on MgSi2 by Materials Project. United States. doi:https://doi.org/10.17188/1708046
The Materials Project. 2020.
"Materials Data on MgSi2 by Materials Project". United States. doi:https://doi.org/10.17188/1708046. https://www.osti.gov/servlets/purl/1708046. Pub date:Tue May 05 00:00:00 EDT 2020
@article{osti_1708046,
title = {Materials Data on MgSi2 by Materials Project},
author = {The Materials Project},
abstractNote = {MgSi2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Mg is bonded in a 8-coordinate geometry to three equivalent Mg and eleven Si atoms. There are two shorter (3.07 Å) and one longer (3.28 Å) Mg–Mg bond lengths. There are a spread of Mg–Si bond distances ranging from 2.84–3.26 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to five equivalent Mg and four Si atoms. There are three shorter (2.52 Å) and one longer (2.57 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 10-coordinate geometry to six equivalent Mg and four Si atoms. The Si–Si bond length is 2.48 Å.},
doi = {10.17188/1708046},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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