U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mg2Si by Materials Project
Abstract
Mg2Si crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a distorted see-saw-like geometry to four Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.80–3.04 Å. In the second Mg2+ site, Mg2+ is bonded in a linear geometry to two Si4- atoms. There are one shorter (2.67 Å) and one longer (2.68 Å) Mg–Si bond lengths. In the third Mg2+ site, Mg2+ is bonded in a 4-coordinate geometry to four Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.65–2.93 Å. In the fourth Mg2+ site, Mg2+ is bonded in a 3-coordinate geometry to three Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.63–2.99 Å. In the fifth Mg2+ site, Mg2+ is bonded to four Si4- atoms to form a mixture of distorted corner and edge-sharing MgSi4 tetrahedra. There are a spread of Mg–Si bond distances ranging from 2.78–2.99 Å. In the sixth Mg2+ site, Mg2+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.76–2.97 Å. In the seventh Mg2+more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1074644
- 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; Mg2Si; Mg-Si
- OSTI Identifier:
- 1672350
- DOI:
- https://doi.org/10.17188/1672350
Citation Formats
The Materials Project. Materials Data on Mg2Si by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1672350.
The Materials Project. Materials Data on Mg2Si by Materials Project. United States. doi:https://doi.org/10.17188/1672350
The Materials Project. 2020.
"Materials Data on Mg2Si by Materials Project". United States. doi:https://doi.org/10.17188/1672350. https://www.osti.gov/servlets/purl/1672350. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1672350,
title = {Materials Data on Mg2Si by Materials Project},
author = {The Materials Project},
abstractNote = {Mg2Si crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a distorted see-saw-like geometry to four Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.80–3.04 Å. In the second Mg2+ site, Mg2+ is bonded in a linear geometry to two Si4- atoms. There are one shorter (2.67 Å) and one longer (2.68 Å) Mg–Si bond lengths. In the third Mg2+ site, Mg2+ is bonded in a 4-coordinate geometry to four Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.65–2.93 Å. In the fourth Mg2+ site, Mg2+ is bonded in a 3-coordinate geometry to three Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.63–2.99 Å. In the fifth Mg2+ site, Mg2+ is bonded to four Si4- atoms to form a mixture of distorted corner and edge-sharing MgSi4 tetrahedra. There are a spread of Mg–Si bond distances ranging from 2.78–2.99 Å. In the sixth Mg2+ site, Mg2+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.76–2.97 Å. In the seventh Mg2+ site, Mg2+ is bonded in a 4-coordinate geometry to four Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.75–3.01 Å. In the eighth Mg2+ site, Mg2+ is bonded to four Si4- atoms to form a mixture of corner and edge-sharing MgSi4 tetrahedra. There are a spread of Mg–Si bond distances ranging from 2.79–2.96 Å. There are four inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 8-coordinate geometry to seven Mg2+ and one Si4- atom. The Si–Si bond length is 2.55 Å. In the second Si4- site, Si4- is bonded in a 8-coordinate geometry to seven Mg2+ and one Si4- atom. The Si–Si bond length is 2.53 Å. In the third Si4- site, Si4- is bonded in a 9-coordinate geometry to seven Mg2+ and two Si4- atoms. In the fourth Si4- site, Si4- is bonded in a 9-coordinate geometry to nine Mg2+ atoms.},
doi = {10.17188/1672350},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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