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Title: Materials Data on MgSi2 by Materials Project

Abstract

MgSi2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to two equivalent Mg and ten Si atoms. There are one shorter (2.93 Å) and one longer (2.99 Å) Mg–Mg bond lengths. There are a spread of Mg–Si bond distances ranging from 2.79–2.98 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 12-coordinate geometry to six equivalent Mg and two equivalent Si atoms. Both Si–Si bond lengths are 2.87 Å. In the second Si site, Si is bonded in a 4-coordinate geometry to four equivalent Mg and six Si atoms. There are two shorter (2.71 Å) and two longer (2.74 Å) Si–Si bond lengths. In the third Si site, Si is bonded in a 5-coordinate geometry to five equivalent Mg and two equivalent Si atoms.

Publication Date:
Other Number(s):
mp-1073578
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; MgSi2; Mg-Si
OSTI Identifier:
1753885
DOI:
https://doi.org/10.17188/1753885

Citation Formats

The Materials Project. Materials Data on MgSi2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753885.
The Materials Project. Materials Data on MgSi2 by Materials Project. United States. doi:https://doi.org/10.17188/1753885
The Materials Project. 2020. "Materials Data on MgSi2 by Materials Project". United States. doi:https://doi.org/10.17188/1753885. https://www.osti.gov/servlets/purl/1753885. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1753885,
title = {Materials Data on MgSi2 by Materials Project},
author = {The Materials Project},
abstractNote = {MgSi2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to two equivalent Mg and ten Si atoms. There are one shorter (2.93 Å) and one longer (2.99 Å) Mg–Mg bond lengths. There are a spread of Mg–Si bond distances ranging from 2.79–2.98 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 12-coordinate geometry to six equivalent Mg and two equivalent Si atoms. Both Si–Si bond lengths are 2.87 Å. In the second Si site, Si is bonded in a 4-coordinate geometry to four equivalent Mg and six Si atoms. There are two shorter (2.71 Å) and two longer (2.74 Å) Si–Si bond lengths. In the third Si site, Si is bonded in a 5-coordinate geometry to five equivalent Mg and two equivalent Si atoms.},
doi = {10.17188/1753885},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}