U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mg2Si by Materials Project
Abstract
Mg2Si crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a distorted trigonal non-coplanar geometry to three Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.71–2.77 Å. In the second Mg2+ site, Mg2+ is bonded to four Si4- atoms to form a mixture of edge and corner-sharing MgSi4 trigonal pyramids. There are a spread of Mg–Si bond distances ranging from 2.87–3.06 Å. In the third Mg2+ site, Mg2+ is bonded in a distorted trigonal non-coplanar geometry to three Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.80–2.87 Å. In the fourth 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 2.70–2.82 Å. There are two 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 2.51 Å. In the second Si4- site, Si4- is bonded in a 8-coordinate geometry to seven Mg2+ and one Si4- atom.
- Publication Date:
- Other Number(s):
- mp-1074759
- 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; Mg2Si; crystal structure
- OSTI Identifier:
- 1652939
- DOI:
- https://doi.org/10.17188/1652939
Citation Formats
Materials Data on Mg2Si by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1652939.
Materials Data on Mg2Si by Materials Project. United States. doi:https://doi.org/10.17188/1652939
2020.
"Materials Data on Mg2Si by Materials Project". United States. doi:https://doi.org/10.17188/1652939. https://www.osti.gov/servlets/purl/1652939. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1652939,
title = {Materials Data on Mg2Si by Materials Project},
abstractNote = {Mg2Si crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a distorted trigonal non-coplanar geometry to three Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.71–2.77 Å. In the second Mg2+ site, Mg2+ is bonded to four Si4- atoms to form a mixture of edge and corner-sharing MgSi4 trigonal pyramids. There are a spread of Mg–Si bond distances ranging from 2.87–3.06 Å. In the third Mg2+ site, Mg2+ is bonded in a distorted trigonal non-coplanar geometry to three Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.80–2.87 Å. In the fourth 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 2.70–2.82 Å. There are two 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 2.51 Å. In the second Si4- site, Si4- is bonded in a 8-coordinate geometry to seven Mg2+ and one Si4- atom.},
doi = {10.17188/1652939},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}