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Title: 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 to five Si4- atoms to form a mixture of distorted corner and edge-sharing MgSi5 trigonal bipyramids. There are a spread of Mg–Si bond distances ranging from 2.74–2.92 Å. In the second Mg2+ site, Mg2+ is bonded in a 3-coordinate geometry to five Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.75–3.25 Å. In the third Mg2+ site, Mg2+ is bonded in a 4-coordinate geometry to five Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.71–3.23 Å. In the fourth Mg2+ site, Mg2+ is bonded in a 3-coordinate geometry to five Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.75–3.25 Å. In the fifth Mg2+ site, Mg2+ is bonded to five Si4- atoms to form a mixture of distorted corner and edge-sharing MgSi5 trigonal bipyramids. There are a spread of Mg–Si bond distances ranging from 2.74–2.92 Å. In the sixth Mg2+ site, Mg2+ is bonded in a square co-planar geometry to four Si4- atoms. There are a spread of Mg–Si bond distances rangingmore » from 2.81–3.08 Å. In the seventh Mg2+ site, Mg2+ is bonded in a linear geometry to four Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.71–3.30 Å. In the eighth Mg2+ site, Mg2+ is bonded in a 4-coordinate geometry to five Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.71–3.24 Å. There are four inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 11-coordinate geometry to ten Mg2+ and one Si4- atom. The Si–Si bond length is 2.57 Å. In the second Si4- site, Si4- is bonded in a 11-coordinate geometry to ten Mg2+ and one Si4- atom. In the third Si4- site, Si4- is bonded in a 9-coordinate geometry to nine Mg2+ atoms. In the fourth Si4- site, Si4- is bonded in a 9-coordinate geometry to nine Mg2+ atoms.« less

Publication Date:
Other Number(s):
mp-1074780
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Mg2Si; Mg-Si
OSTI Identifier:
1655613
DOI:
https://doi.org/10.17188/1655613

Citation Formats

The Materials Project. Materials Data on Mg2Si by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1655613.
The Materials Project. Materials Data on Mg2Si by Materials Project. United States. doi:https://doi.org/10.17188/1655613
The Materials Project. 2020. "Materials Data on Mg2Si by Materials Project". United States. doi:https://doi.org/10.17188/1655613. https://www.osti.gov/servlets/purl/1655613. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1655613,
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 to five Si4- atoms to form a mixture of distorted corner and edge-sharing MgSi5 trigonal bipyramids. There are a spread of Mg–Si bond distances ranging from 2.74–2.92 Å. In the second Mg2+ site, Mg2+ is bonded in a 3-coordinate geometry to five Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.75–3.25 Å. In the third Mg2+ site, Mg2+ is bonded in a 4-coordinate geometry to five Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.71–3.23 Å. In the fourth Mg2+ site, Mg2+ is bonded in a 3-coordinate geometry to five Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.75–3.25 Å. In the fifth Mg2+ site, Mg2+ is bonded to five Si4- atoms to form a mixture of distorted corner and edge-sharing MgSi5 trigonal bipyramids. There are a spread of Mg–Si bond distances ranging from 2.74–2.92 Å. In the sixth Mg2+ site, Mg2+ is bonded in a square co-planar geometry to four Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.81–3.08 Å. In the seventh Mg2+ site, Mg2+ is bonded in a linear geometry to four Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.71–3.30 Å. In the eighth Mg2+ site, Mg2+ is bonded in a 4-coordinate geometry to five Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.71–3.24 Å. There are four inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 11-coordinate geometry to ten Mg2+ and one Si4- atom. The Si–Si bond length is 2.57 Å. In the second Si4- site, Si4- is bonded in a 11-coordinate geometry to ten Mg2+ and one Si4- atom. In the third Si4- site, Si4- is bonded in a 9-coordinate geometry to nine Mg2+ atoms. In the fourth Si4- site, Si4- is bonded in a 9-coordinate geometry to nine Mg2+ atoms.},
doi = {10.17188/1655613},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

Works referenced in this record:

Spark plasma sintering and thermoelectric evaluation of nanocrystalline magnesium silicide (Mg2Si)
journal, October 2012


The crystallographic orientation relationship between Al2O3 and MgAl2O4 in the composite material Al2O3/Al–Mg–Si alloy
journal, April 2007