U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MgSi2 by Materials Project
Abstract
MgSi2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to four Mg and eight Si atoms. There are a spread of Mg–Mg bond distances ranging from 2.99–3.13 Å. There are a spread of Mg–Si bond distances ranging from 2.81–3.06 Å. In the second Mg site, Mg is bonded in a 6-coordinate geometry to two equivalent Mg and seven Si atoms. There are a spread of Mg–Si bond distances ranging from 2.78–3.23 Å. In the third Mg site, Mg is bonded in a 8-coordinate geometry to nine Si atoms. There are a spread of Mg–Si bond distances ranging from 2.82–3.13 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Mg and ten Si atoms. There are a spread of Mg–Si bond distances ranging from 2.78–3.08 Å. There are eight inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to three Mg and six Si atoms. There are a spread of Si–Si bond distances ranging from 2.45–2.84 Å. In the second Si site, Si is bonded in amore »
- Publication Date:
- Other Number(s):
- mp-1073587
- 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; MgSi2; crystal structure
- OSTI Identifier:
- 1738255
- DOI:
- https://doi.org/10.17188/1738255
Citation Formats
Materials Data on MgSi2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1738255.
Materials Data on MgSi2 by Materials Project. United States. doi:https://doi.org/10.17188/1738255
2020.
"Materials Data on MgSi2 by Materials Project". United States. doi:https://doi.org/10.17188/1738255. https://www.osti.gov/servlets/purl/1738255. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1738255,
title = {Materials Data on MgSi2 by Materials Project},
abstractNote = {MgSi2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to four Mg and eight Si atoms. There are a spread of Mg–Mg bond distances ranging from 2.99–3.13 Å. There are a spread of Mg–Si bond distances ranging from 2.81–3.06 Å. In the second Mg site, Mg is bonded in a 6-coordinate geometry to two equivalent Mg and seven Si atoms. There are a spread of Mg–Si bond distances ranging from 2.78–3.23 Å. In the third Mg site, Mg is bonded in a 8-coordinate geometry to nine Si atoms. There are a spread of Mg–Si bond distances ranging from 2.82–3.13 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Mg and ten Si atoms. There are a spread of Mg–Si bond distances ranging from 2.78–3.08 Å. There are eight inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to three Mg and six Si atoms. There are a spread of Si–Si bond distances ranging from 2.45–2.84 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to five Mg and five Si atoms. There are a spread of Si–Si bond distances ranging from 2.53–2.59 Å. In the third 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 2.50–2.89 Å. In the fourth Si site, Si is bonded in a 10-coordinate geometry to five Mg and five Si atoms. There are a spread of Si–Si bond distances ranging from 2.59–2.83 Å. In the fifth Si site, Si is bonded in a 8-coordinate geometry to six Mg and two equivalent Si atoms. In the sixth Si site, Si is bonded in a 9-coordinate geometry to four Mg and five Si atoms. The Si–Si bond length is 2.54 Å. In the seventh Si site, Si is bonded in a 10-coordinate geometry to three Mg and seven Si atoms. In the eighth Si site, Si is bonded in a 8-coordinate geometry to four Mg and four Si atoms.},
doi = {10.17188/1738255},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}