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Title: Materials Data on Mg9Si5 by Materials Project

Abstract

Mg9Si5 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to four Si atoms to form a mixture of distorted edge and corner-sharing MgSi4 tetrahedra. There are a spread of Mg–Si bond distances ranging from 2.67–2.79 Å. In the second Mg site, Mg is bonded in a 5-coordinate geometry to five Si atoms. There are one shorter (2.87 Å) and four longer (2.91 Å) Mg–Si bond lengths. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 7-coordinate geometry to six Mg and one Si atom. The Si–Si bond length is 2.51 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to nine Mg atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to nine Mg atoms.

Authors:
Publication Date:
Other Number(s):
mp-542854
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; Mg9Si5; Mg-Si
OSTI Identifier:
1266761
DOI:
https://doi.org/10.17188/1266761

Citation Formats

The Materials Project. Materials Data on Mg9Si5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1266761.
The Materials Project. Materials Data on Mg9Si5 by Materials Project. United States. doi:https://doi.org/10.17188/1266761
The Materials Project. 2020. "Materials Data on Mg9Si5 by Materials Project". United States. doi:https://doi.org/10.17188/1266761. https://www.osti.gov/servlets/purl/1266761. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1266761,
title = {Materials Data on Mg9Si5 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg9Si5 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to four Si atoms to form a mixture of distorted edge and corner-sharing MgSi4 tetrahedra. There are a spread of Mg–Si bond distances ranging from 2.67–2.79 Å. In the second Mg site, Mg is bonded in a 5-coordinate geometry to five Si atoms. There are one shorter (2.87 Å) and four longer (2.91 Å) Mg–Si bond lengths. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 7-coordinate geometry to six Mg and one Si atom. The Si–Si bond length is 2.51 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to nine Mg atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to nine Mg atoms.},
doi = {10.17188/1266761},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}