U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mg3Si4 by Materials Project
Abstract
Mg3Si4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to five Mg and seven Si atoms. There are a spread of Mg–Mg bond distances ranging from 2.93–3.05 Å. There are a spread of Mg–Si bond distances ranging from 2.87–3.18 Å. In the second Mg site, Mg is bonded in a 11-coordinate geometry to two equivalent Mg and eight Si atoms. Both Mg–Mg bond lengths are 3.06 Å. There are a spread of Mg–Si bond distances ranging from 2.78–2.98 Å. In the third 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 2.95–3.12 Å. In the fourth Mg site, Mg is bonded in a 11-coordinate geometry to three Mg and eight Si atoms. There are a spread of Mg–Si bond distances ranging from 2.72–3.08 Å. In the fifth Mg site, Mg is bonded in a 7-coordinate geometry to two equivalent Mg and eight Si atoms. There are a spread of Mg–Si bond distances ranging from 2.82–3.18 Å. In the sixth Mg site, Mg is bonded inmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1075351
- 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; Mg3Si4; Mg-Si
- OSTI Identifier:
- 1722188
- DOI:
- https://doi.org/10.17188/1722188
Citation Formats
The Materials Project. Materials Data on Mg3Si4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1722188.
The Materials Project. Materials Data on Mg3Si4 by Materials Project. United States. doi:https://doi.org/10.17188/1722188
The Materials Project. 2020.
"Materials Data on Mg3Si4 by Materials Project". United States. doi:https://doi.org/10.17188/1722188. https://www.osti.gov/servlets/purl/1722188. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1722188,
title = {Materials Data on Mg3Si4 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg3Si4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to five Mg and seven Si atoms. There are a spread of Mg–Mg bond distances ranging from 2.93–3.05 Å. There are a spread of Mg–Si bond distances ranging from 2.87–3.18 Å. In the second Mg site, Mg is bonded in a 11-coordinate geometry to two equivalent Mg and eight Si atoms. Both Mg–Mg bond lengths are 3.06 Å. There are a spread of Mg–Si bond distances ranging from 2.78–2.98 Å. In the third 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 2.95–3.12 Å. In the fourth Mg site, Mg is bonded in a 11-coordinate geometry to three Mg and eight Si atoms. There are a spread of Mg–Si bond distances ranging from 2.72–3.08 Å. In the fifth Mg site, Mg is bonded in a 7-coordinate geometry to two equivalent Mg and eight Si atoms. There are a spread of Mg–Si bond distances ranging from 2.82–3.18 Å. In the sixth Mg site, Mg is bonded in a 7-coordinate geometry to two equivalent Mg and eight Si atoms. There are a spread of Mg–Si bond distances ranging from 2.77–3.20 Å. There are eight inequivalent Si sites. In the first Si site, Si is bonded in a 8-coordinate geometry to five Mg and three Si atoms. There are two shorter (2.53 Å) and one longer (2.59 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 10-coordinate geometry to seven Mg and three Si atoms. There are two shorter (2.59 Å) and one longer (2.82 Å) Si–Si bond lengths. In the third Si site, Si is bonded in a 10-coordinate geometry to six Mg and four Si atoms. There are a spread of Si–Si bond distances ranging from 2.54–2.75 Å. In the fourth Si site, Si is bonded in a 9-coordinate geometry to five Mg and four Si atoms. There are one shorter (2.66 Å) and one longer (2.70 Å) Si–Si bond lengths. In the fifth Si site, Si is bonded in a 10-coordinate geometry to seven Mg and three Si atoms. There are one shorter (2.66 Å) and one longer (2.67 Å) Si–Si bond lengths. In the sixth Si site, Si is bonded in a 11-coordinate geometry to seven Mg and four Si atoms. There are one shorter (2.76 Å) and one longer (2.79 Å) Si–Si bond lengths. In the seventh Si site, Si is bonded in a 10-coordinate geometry to four Mg and six Si atoms. In the eighth Si site, Si is bonded in a 10-coordinate geometry to five Mg and five Si atoms.},
doi = {10.17188/1722188},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 00:00:00 EDT 2020},
month = {Sun May 03 00:00:00 EDT 2020}
}