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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 in a distorted see-saw-like geometry to four Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.80–3.04 Å. In the second Mg2+ site, Mg2+ is bonded in a linear geometry to two Si4- atoms. There are one shorter (2.67 Å) and one longer (2.68 Å) Mg–Si bond lengths. In the third 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 2.65–2.93 Å. In the fourth Mg2+ site, Mg2+ is bonded in a 3-coordinate geometry to three Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.63–2.99 Å. In the fifth Mg2+ site, Mg2+ is bonded to four Si4- atoms to form a mixture of distorted corner and edge-sharing MgSi4 tetrahedra. There are a spread of Mg–Si bond distances ranging from 2.78–2.99 Å. In the sixth Mg2+ site, Mg2+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.76–2.97 Å. In the seventh Mg2+more » site, Mg2+ is bonded in a 4-coordinate geometry to four Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.75–3.01 Å. In the eighth Mg2+ site, Mg2+ is bonded to four Si4- atoms to form a mixture of corner and edge-sharing MgSi4 tetrahedra. There are a spread of Mg–Si bond distances ranging from 2.79–2.96 Å. There are four 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 2.55 Å. In the second Si4- site, Si4- is bonded in a 8-coordinate geometry to seven Mg2+ and one Si4- atom. The Si–Si bond length is 2.53 Å. In the third Si4- site, Si4- is bonded in a 9-coordinate geometry to seven Mg2+ and two Si4- atoms. In the fourth Si4- site, Si4- is bonded in a 9-coordinate geometry to nine Mg2+ atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-1074644
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:
1672350
DOI:
10.17188/1672350

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Mg2Si by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1672350.
Persson, Kristin, & Project, Materials. Materials Data on Mg2Si by Materials Project. United States. doi:10.17188/1672350.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Mg2Si by Materials Project". United States. doi:10.17188/1672350. https://www.osti.gov/servlets/purl/1672350. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1672350,
title = {Materials Data on Mg2Si by Materials Project},
author = {Persson, Kristin and Project, Materials},
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 in a distorted see-saw-like geometry to four Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.80–3.04 Å. In the second Mg2+ site, Mg2+ is bonded in a linear geometry to two Si4- atoms. There are one shorter (2.67 Å) and one longer (2.68 Å) Mg–Si bond lengths. In the third 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 2.65–2.93 Å. In the fourth Mg2+ site, Mg2+ is bonded in a 3-coordinate geometry to three Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.63–2.99 Å. In the fifth Mg2+ site, Mg2+ is bonded to four Si4- atoms to form a mixture of distorted corner and edge-sharing MgSi4 tetrahedra. There are a spread of Mg–Si bond distances ranging from 2.78–2.99 Å. In the sixth Mg2+ site, Mg2+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.76–2.97 Å. In the seventh 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 2.75–3.01 Å. In the eighth Mg2+ site, Mg2+ is bonded to four Si4- atoms to form a mixture of corner and edge-sharing MgSi4 tetrahedra. There are a spread of Mg–Si bond distances ranging from 2.79–2.96 Å. There are four 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 2.55 Å. In the second Si4- site, Si4- is bonded in a 8-coordinate geometry to seven Mg2+ and one Si4- atom. The Si–Si bond length is 2.53 Å. In the third Si4- site, Si4- is bonded in a 9-coordinate geometry to seven Mg2+ and two Si4- atoms. In the fourth Si4- site, Si4- is bonded in a 9-coordinate geometry to nine Mg2+ atoms.},
doi = {10.17188/1672350},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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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

  • Ikeno, Susumu; Matsuda, Kenji; Matsuki, Toshimasa
  • Journal of Materials Science, Vol. 42, Issue 14
  • DOI: 10.1007/s10853-006-0538-1