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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 trigonal non-coplanar geometry to three Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.82–2.89 Å. In the second 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 2.83–3.20 Å. In the third Mg2+ site, Mg2+ is bonded in a distorted trigonal non-coplanar geometry to three Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.70–3.01 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 2.76–3.13 Å. In the fifth Mg2+ site, Mg2+ is bonded in an L-shaped geometry to two Si4- atoms. There are one shorter (2.62 Å) and one longer (3.00 Å) Mg–Si bond lengths. 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 2.65–3.11 Å. In the seventh Mg2+ site, Mg2+ is bondedmore » to five Si4- atoms to form distorted corner-sharing MgSi5 square pyramids. There are a spread of Mg–Si bond distances ranging from 2.74–3.05 Å. In the eighth Mg2+ site, Mg2+ is bonded in a 6-coordinate geometry to six Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.73–3.16 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 (2.53 Å) and one longer (2.66 Å) Si–Si bond lengths. In the second Si4- site, Si4- is bonded in a 10-coordinate geometry to nine Mg2+ and one Si4- atom. In the third Si4- site, Si4- is bonded in a 8-coordinate geometry to eight Mg2+ atoms. In the fourth Si4- site, Si4- is bonded in a 10-coordinate geometry to nine Mg2+ and one Si4- atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1074613
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:
1706052
DOI:
https://doi.org/10.17188/1706052

Citation Formats

The Materials Project. Materials Data on Mg2Si by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1706052.
The Materials Project. Materials Data on Mg2Si by Materials Project. United States. doi:https://doi.org/10.17188/1706052
The Materials Project. 2020. "Materials Data on Mg2Si by Materials Project". United States. doi:https://doi.org/10.17188/1706052. https://www.osti.gov/servlets/purl/1706052. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1706052,
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 distorted trigonal non-coplanar geometry to three Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.82–2.89 Å. In the second 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 2.83–3.20 Å. In the third Mg2+ site, Mg2+ is bonded in a distorted trigonal non-coplanar geometry to three Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.70–3.01 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 2.76–3.13 Å. In the fifth Mg2+ site, Mg2+ is bonded in an L-shaped geometry to two Si4- atoms. There are one shorter (2.62 Å) and one longer (3.00 Å) Mg–Si bond lengths. 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 2.65–3.11 Å. In the seventh Mg2+ site, Mg2+ is bonded to five Si4- atoms to form distorted corner-sharing MgSi5 square pyramids. There are a spread of Mg–Si bond distances ranging from 2.74–3.05 Å. In the eighth Mg2+ site, Mg2+ is bonded in a 6-coordinate geometry to six Si4- atoms. There are a spread of Mg–Si bond distances ranging from 2.73–3.16 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 (2.53 Å) and one longer (2.66 Å) Si–Si bond lengths. In the second Si4- site, Si4- is bonded in a 10-coordinate geometry to nine Mg2+ and one Si4- atom. In the third Si4- site, Si4- is bonded in a 8-coordinate geometry to eight Mg2+ atoms. In the fourth Si4- site, Si4- is bonded in a 10-coordinate geometry to nine Mg2+ and one Si4- atom.},
doi = {10.17188/1706052},
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