U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mg2Si3 by Materials Project
Abstract
Mg2Si3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 7-coordinate geometry to seven Si+1.33- atoms. There are a spread of Mg–Si bond distances ranging from 2.78–2.87 Å. In the second Mg2+ site, Mg2+ is bonded in a 6-coordinate geometry to six Si+1.33- atoms. There are a spread of Mg–Si bond distances ranging from 2.73–3.09 Å. There are three inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 6-coordinate geometry to three equivalent Mg2+ and three Si+1.33- atoms. There are one shorter (2.41 Å) and two longer (2.43 Å) Si–Si bond lengths. In the second Si+1.33- site, Si+1.33- is bonded in a 7-coordinate geometry to four Mg2+ and three Si+1.33- atoms. The Si–Si bond length is 2.43 Å. In the third Si+1.33- site, Si+1.33- is bonded in a 8-coordinate geometry to six Mg2+ and two Si+1.33- atoms. The Si–Si bond length is 2.47 Å.
- Publication Date:
- Other Number(s):
- mp-1073114
- 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; Mg2Si3; crystal structure
- OSTI Identifier:
- 1744476
- DOI:
- https://doi.org/10.17188/1744476
Citation Formats
Materials Data on Mg2Si3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1744476.
Materials Data on Mg2Si3 by Materials Project. United States. doi:https://doi.org/10.17188/1744476
2020.
"Materials Data on Mg2Si3 by Materials Project". United States. doi:https://doi.org/10.17188/1744476. https://www.osti.gov/servlets/purl/1744476. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1744476,
title = {Materials Data on Mg2Si3 by Materials Project},
abstractNote = {Mg2Si3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 7-coordinate geometry to seven Si+1.33- atoms. There are a spread of Mg–Si bond distances ranging from 2.78–2.87 Å. In the second Mg2+ site, Mg2+ is bonded in a 6-coordinate geometry to six Si+1.33- atoms. There are a spread of Mg–Si bond distances ranging from 2.73–3.09 Å. There are three inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 6-coordinate geometry to three equivalent Mg2+ and three Si+1.33- atoms. There are one shorter (2.41 Å) and two longer (2.43 Å) Si–Si bond lengths. In the second Si+1.33- site, Si+1.33- is bonded in a 7-coordinate geometry to four Mg2+ and three Si+1.33- atoms. The Si–Si bond length is 2.43 Å. In the third Si+1.33- site, Si+1.33- is bonded in a 8-coordinate geometry to six Mg2+ and two Si+1.33- atoms. The Si–Si bond length is 2.47 Å.},
doi = {10.17188/1744476},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}