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Title: Materials Data on MgSi2 by Materials Project

Abstract

MgSi2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded in a 9-coordinate geometry to nine Si atoms. There are a spread of Mg–Si bond distances ranging from 2.80–3.06 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 8-coordinate geometry to five equivalent Mg and three equivalent Si atoms. There are two shorter (2.44 Å) and one longer (2.54 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 8-coordinate geometry to four equivalent Mg and four Si atoms. The Si–Si bond length is 2.39 Å.

Authors:
Publication Date:
Other Number(s):
mp-1100461
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; MgSi2; Mg-Si
OSTI Identifier:
1758492
DOI:
https://doi.org/10.17188/1758492

Citation Formats

The Materials Project. Materials Data on MgSi2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758492.
The Materials Project. Materials Data on MgSi2 by Materials Project. United States. doi:https://doi.org/10.17188/1758492
The Materials Project. 2020. "Materials Data on MgSi2 by Materials Project". United States. doi:https://doi.org/10.17188/1758492. https://www.osti.gov/servlets/purl/1758492. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758492,
title = {Materials Data on MgSi2 by Materials Project},
author = {The Materials Project},
abstractNote = {MgSi2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded in a 9-coordinate geometry to nine Si atoms. There are a spread of Mg–Si bond distances ranging from 2.80–3.06 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 8-coordinate geometry to five equivalent Mg and three equivalent Si atoms. There are two shorter (2.44 Å) and one longer (2.54 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 8-coordinate geometry to four equivalent Mg and four Si atoms. The Si–Si bond length is 2.39 Å.},
doi = {10.17188/1758492},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}