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Title: Materials Data on Mg2Si by Materials Project

Abstract

Mg2Si crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to five equivalent Si4- atoms to form MgSi5 trigonal bipyramids that share corners with twelve equivalent MgSi6 octahedra, corners with eight equivalent MgSi5 trigonal bipyramids, edges with six equivalent MgSi5 trigonal bipyramids, and faces with six equivalent MgSi6 octahedra. The corner-sharing octahedra tilt angles range from 27–61°. There are a spread of Mg–Si bond distances ranging from 2.66–3.12 Å. In the second Mg2+ site, Mg2+ is bonded to six equivalent Si4- atoms to form distorted MgSi6 octahedra that share corners with twelve equivalent MgSi6 octahedra, corners with twelve equivalent MgSi5 trigonal bipyramids, edges with six equivalent MgSi6 octahedra, faces with two equivalent MgSi6 octahedra, and faces with six equivalent MgSi5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 51–52°. There are a spread of Mg–Si bond distances ranging from 2.98–3.17 Å. Si4- is bonded in a 3-coordinate geometry to eleven Mg2+ atoms.

Publication Date:
Other Number(s):
mp-1074738
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:
1667310
DOI:
https://doi.org/10.17188/1667310

Citation Formats

The Materials Project. Materials Data on Mg2Si by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1667310.
The Materials Project. Materials Data on Mg2Si by Materials Project. United States. doi:https://doi.org/10.17188/1667310
The Materials Project. 2020. "Materials Data on Mg2Si by Materials Project". United States. doi:https://doi.org/10.17188/1667310. https://www.osti.gov/servlets/purl/1667310. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1667310,
title = {Materials Data on Mg2Si by Materials Project},
author = {The Materials Project},
abstractNote = {Mg2Si crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to five equivalent Si4- atoms to form MgSi5 trigonal bipyramids that share corners with twelve equivalent MgSi6 octahedra, corners with eight equivalent MgSi5 trigonal bipyramids, edges with six equivalent MgSi5 trigonal bipyramids, and faces with six equivalent MgSi6 octahedra. The corner-sharing octahedra tilt angles range from 27–61°. There are a spread of Mg–Si bond distances ranging from 2.66–3.12 Å. In the second Mg2+ site, Mg2+ is bonded to six equivalent Si4- atoms to form distorted MgSi6 octahedra that share corners with twelve equivalent MgSi6 octahedra, corners with twelve equivalent MgSi5 trigonal bipyramids, edges with six equivalent MgSi6 octahedra, faces with two equivalent MgSi6 octahedra, and faces with six equivalent MgSi5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 51–52°. There are a spread of Mg–Si bond distances ranging from 2.98–3.17 Å. Si4- is bonded in a 3-coordinate geometry to eleven Mg2+ atoms.},
doi = {10.17188/1667310},
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