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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 2-coordinate geometry to three Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.77–3.20 Å. In the second 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 2.74–3.08 Å. In the third Mg2+ site, Mg2+ is bonded in a distorted L-shaped geometry to three Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.73–3.26 Å. In the fourth 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 2.79–3.05 Å. In the fifth 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 2.74–3.14 Å. In the sixth Mg2+ site, Mg2+ is bonded in a water-like geometry to two Si4- atoms. There are one shorter (2.79 Å) and one longer (2.82 Å) Mg–Si bond lengths. In the seventh Mg2+ site, Mg2+ is bonded in a 3-coordinatemore » geometry to three Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.71–2.94 Å. In the eighth 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 2.74–3.16 Å. There are four inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to seven Mg2+ and two Si4- atoms. There are one shorter (2.43 Å) and one longer (2.50 Å) Si–Si bond lengths. In the second Si4- site, Si4- is bonded in a 8-coordinate geometry to six Mg2+ and two Si4- atoms. The Si–Si bond length is 2.42 Å. In the third Si4- site, Si4- is bonded in a 9-coordinate geometry to eight Mg2+ and one Si4- atom. In the fourth Si4- site, Si4- is bonded in a 9-coordinate geometry to eight Mg2+ and one Si4- atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1074636
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; Mg2Si; Mg-Si
OSTI Identifier:
1698592
DOI:
https://doi.org/10.17188/1698592

Citation Formats

The Materials Project. Materials Data on Mg2Si by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1698592.
The Materials Project. Materials Data on Mg2Si by Materials Project. United States. doi:https://doi.org/10.17188/1698592
The Materials Project. 2020. "Materials Data on Mg2Si by Materials Project". United States. doi:https://doi.org/10.17188/1698592. https://www.osti.gov/servlets/purl/1698592. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1698592,
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 in a 2-coordinate geometry to three Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.77–3.20 Å. In the second 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 2.74–3.08 Å. In the third Mg2+ site, Mg2+ is bonded in a distorted L-shaped geometry to three Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.73–3.26 Å. In the fourth 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 2.79–3.05 Å. In the fifth 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 2.74–3.14 Å. In the sixth Mg2+ site, Mg2+ is bonded in a water-like geometry to two Si4- atoms. There are one shorter (2.79 Å) and one longer (2.82 Å) Mg–Si bond lengths. In the seventh 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 2.71–2.94 Å. In the eighth 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 2.74–3.16 Å. There are four inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to seven Mg2+ and two Si4- atoms. There are one shorter (2.43 Å) and one longer (2.50 Å) Si–Si bond lengths. In the second Si4- site, Si4- is bonded in a 8-coordinate geometry to six Mg2+ and two Si4- atoms. The Si–Si bond length is 2.42 Å. In the third Si4- site, Si4- is bonded in a 9-coordinate geometry to eight Mg2+ and one Si4- atom. In the fourth Si4- site, Si4- is bonded in a 9-coordinate geometry to eight Mg2+ and one Si4- atom.},
doi = {10.17188/1698592},
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