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Title: Materials Data on Mg5Si6 by Materials Project

Abstract

Mg5Si6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to eight Si atoms. There are a spread of Mg–Si bond distances ranging from 2.82–2.99 Å. In the second Mg site, Mg is bonded in a square co-planar geometry to four Si atoms. There are two shorter (2.74 Å) and two longer (2.85 Å) Mg–Si bond lengths. In the third Mg site, Mg is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Mg–Si bond distances ranging from 2.79–3.03 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six Mg and three equivalent Si atoms. There are two shorter (2.48 Å) and one longer (2.52 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 9-coordinate geometry to seven Mg and two Si atoms. There are one shorter (2.38 Å) and one longer (2.40 Å) Si–Si bond lengths. In the third Si site, Si is bonded in a 7-coordinate geometry to three Mg and four Si atoms.

Publication Date:
Other Number(s):
mp-568306
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; Mg5Si6; Mg-Si
OSTI Identifier:
1274352
DOI:
https://doi.org/10.17188/1274352

Citation Formats

The Materials Project. Materials Data on Mg5Si6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274352.
The Materials Project. Materials Data on Mg5Si6 by Materials Project. United States. doi:https://doi.org/10.17188/1274352
The Materials Project. 2020. "Materials Data on Mg5Si6 by Materials Project". United States. doi:https://doi.org/10.17188/1274352. https://www.osti.gov/servlets/purl/1274352. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1274352,
title = {Materials Data on Mg5Si6 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg5Si6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to eight Si atoms. There are a spread of Mg–Si bond distances ranging from 2.82–2.99 Å. In the second Mg site, Mg is bonded in a square co-planar geometry to four Si atoms. There are two shorter (2.74 Å) and two longer (2.85 Å) Mg–Si bond lengths. In the third Mg site, Mg is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Mg–Si bond distances ranging from 2.79–3.03 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six Mg and three equivalent Si atoms. There are two shorter (2.48 Å) and one longer (2.52 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 9-coordinate geometry to seven Mg and two Si atoms. There are one shorter (2.38 Å) and one longer (2.40 Å) Si–Si bond lengths. In the third Si site, Si is bonded in a 7-coordinate geometry to three Mg and four Si atoms.},
doi = {10.17188/1274352},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}