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Title: Materials Data on Mg3Si2 by Materials Project

Abstract

Mg3Si2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted trigonal non-coplanar geometry to three equivalent Si atoms. There are a spread of Mg–Si bond distances ranging from 2.77–2.91 Å. In the second Mg site, Mg is bonded in a 4-coordinate geometry to four Si atoms. There are a spread of Mg–Si bond distances ranging from 2.67–2.92 Å. In the third Mg site, Mg is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Mg–Si bond distances ranging from 2.74–2.79 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 7-coordinate geometry to five Mg and two Si atoms. There are one shorter (2.41 Å) and one longer (2.46 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 8-coordinate geometry to seven Mg and one Si atom.

Publication Date:
Other Number(s):
mp-1075851
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; Mg3Si2; Mg-Si
OSTI Identifier:
1744969
DOI:
https://doi.org/10.17188/1744969

Citation Formats

The Materials Project. Materials Data on Mg3Si2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744969.
The Materials Project. Materials Data on Mg3Si2 by Materials Project. United States. doi:https://doi.org/10.17188/1744969
The Materials Project. 2020. "Materials Data on Mg3Si2 by Materials Project". United States. doi:https://doi.org/10.17188/1744969. https://www.osti.gov/servlets/purl/1744969. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1744969,
title = {Materials Data on Mg3Si2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg3Si2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted trigonal non-coplanar geometry to three equivalent Si atoms. There are a spread of Mg–Si bond distances ranging from 2.77–2.91 Å. In the second Mg site, Mg is bonded in a 4-coordinate geometry to four Si atoms. There are a spread of Mg–Si bond distances ranging from 2.67–2.92 Å. In the third Mg site, Mg is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Mg–Si bond distances ranging from 2.74–2.79 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 7-coordinate geometry to five Mg and two Si atoms. There are one shorter (2.41 Å) and one longer (2.46 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 8-coordinate geometry to seven Mg and one Si atom.},
doi = {10.17188/1744969},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}