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Title: Materials Data on Mg4Si3 by Materials Project

Abstract

Mg4Si3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded in a 5-coordinate geometry to six Si atoms. There are a spread of Mg–Si bond distances ranging from 2.68–3.24 Å. In the second 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 2.68–2.96 Å. In the third Mg site, Mg is bonded in a 6-coordinate geometry to six Si atoms. There are two shorter (2.99 Å) and four longer (3.00 Å) Mg–Si bond lengths. In the fourth Mg site, Mg is bonded in a 5-coordinate geometry to six Si atoms. There are a spread of Mg–Si bond distances ranging from 2.68–3.22 Å. In the fifth Mg site, Mg is bonded in an octahedral geometry to six Si atoms. There are a spread of Mg–Si bond distances ranging from 2.77–2.79 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 7-coordinate geometry to eight Mg and one Si atom. The Si–Si bond length is 2.55 Å. In the second Si site, Si is bondedmore » in a 7-coordinate geometry to seven Mg and one Si atom. The Si–Si bond length is 2.56 Å. In the third Si site, Si is bonded in a 7-coordinate geometry to eight Mg and one Si atom. The Si–Si bond length is 2.56 Å.« less

Publication Date:
Other Number(s):
mp-1074405
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; Mg4Si3; Mg-Si
OSTI Identifier:
1753002
DOI:
https://doi.org/10.17188/1753002

Citation Formats

The Materials Project. Materials Data on Mg4Si3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753002.
The Materials Project. Materials Data on Mg4Si3 by Materials Project. United States. doi:https://doi.org/10.17188/1753002
The Materials Project. 2020. "Materials Data on Mg4Si3 by Materials Project". United States. doi:https://doi.org/10.17188/1753002. https://www.osti.gov/servlets/purl/1753002. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1753002,
title = {Materials Data on Mg4Si3 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg4Si3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded in a 5-coordinate geometry to six Si atoms. There are a spread of Mg–Si bond distances ranging from 2.68–3.24 Å. In the second 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 2.68–2.96 Å. In the third Mg site, Mg is bonded in a 6-coordinate geometry to six Si atoms. There are two shorter (2.99 Å) and four longer (3.00 Å) Mg–Si bond lengths. In the fourth Mg site, Mg is bonded in a 5-coordinate geometry to six Si atoms. There are a spread of Mg–Si bond distances ranging from 2.68–3.22 Å. In the fifth Mg site, Mg is bonded in an octahedral geometry to six Si atoms. There are a spread of Mg–Si bond distances ranging from 2.77–2.79 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 7-coordinate geometry to eight Mg and one Si atom. The Si–Si bond length is 2.55 Å. In the second Si site, Si is bonded in a 7-coordinate geometry to seven Mg and one Si atom. The Si–Si bond length is 2.56 Å. In the third Si site, Si is bonded in a 7-coordinate geometry to eight Mg and one Si atom. The Si–Si bond length is 2.56 Å.},
doi = {10.17188/1753002},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}