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. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to eight Si atoms. There are a spread of Mg–Si bond distances ranging from 2.71–3.09 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 2.72–2.99 Å. There are four inequivalent Si sites. In the first Si site, Si is bonded in a 7-coordinate geometry to three equivalent Mg and five Si atoms. There are a spread of Si–Si bond distances ranging from 2.41–2.94 Å. In the second Si site, Si is bonded in a 10-coordinate geometry to four Mg and six Si atoms. There are a spread of Si–Si bond distances ranging from 2.62–2.86 Å. In the third Si site, Si is bonded in a 8-coordinate geometry to three Mg and five Si atoms. In the fourth Si site, Si is bonded in a 9-coordinate geometry to five Mg and four Si atoms. There are one shorter (2.61 Å) and one longer (2.67 Å) Si–Si bond lengths.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1073469
- 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:
- 1751795
- DOI:
- https://doi.org/10.17188/1751795
Citation Formats
The Materials Project. Materials Data on MgSi2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1751795.
The Materials Project. Materials Data on MgSi2 by Materials Project. United States. doi:https://doi.org/10.17188/1751795
The Materials Project. 2020.
"Materials Data on MgSi2 by Materials Project". United States. doi:https://doi.org/10.17188/1751795. https://www.osti.gov/servlets/purl/1751795. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1751795,
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. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to eight Si atoms. There are a spread of Mg–Si bond distances ranging from 2.71–3.09 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 2.72–2.99 Å. There are four inequivalent Si sites. In the first Si site, Si is bonded in a 7-coordinate geometry to three equivalent Mg and five Si atoms. There are a spread of Si–Si bond distances ranging from 2.41–2.94 Å. In the second Si site, Si is bonded in a 10-coordinate geometry to four Mg and six Si atoms. There are a spread of Si–Si bond distances ranging from 2.62–2.86 Å. In the third Si site, Si is bonded in a 8-coordinate geometry to three Mg and five Si atoms. In the fourth Si site, Si is bonded in a 9-coordinate geometry to five Mg and four Si atoms. There are one shorter (2.61 Å) and one longer (2.67 Å) Si–Si bond lengths.},
doi = {10.17188/1751795},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}