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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 one-dimensional and consists of one Mg4Si3 ribbon oriented in the (1, 0, 0) direction. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 1-coordinate geometry to one Si atom. The Mg–Si bond length is 2.14 Å. In the second Mg site, Mg is bonded in a 1-coordinate geometry to one Mg and two Si atoms. The Mg–Mg bond length is 1.94 Å. There are one shorter (2.16 Å) and one longer (2.73 Å) Mg–Si bond lengths. In the third Mg site, Mg is bonded in a 1-coordinate geometry to two equivalent Mg and two equivalent Si atoms. There are one shorter (2.06 Å) and one longer (2.63 Å) Mg–Mg bond lengths. There are one shorter (2.25 Å) and one longer (2.57 Å) Mg–Si bond lengths. In the fourth Mg site, Mg is bonded in a 6-coordinate geometry to three Mg and three Si atoms. There are a spread of Mg–Si bond distances ranging from 2.78–3.00 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 1-coordinate geometry to one Mg atom. In the second Simore » site, Si is bonded in a 1-coordinate geometry to two Mg and one Si atom. The Si–Si bond length is 1.92 Å. In the third Si site, Si is bonded in a 1-coordinate geometry to five Mg and one Si atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1074483
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; Mg4Si3; Mg-Si
OSTI Identifier:
1746515
DOI:
https://doi.org/10.17188/1746515

Citation Formats

The Materials Project. Materials Data on Mg4Si3 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1746515.
The Materials Project. Materials Data on Mg4Si3 by Materials Project. United States. doi:https://doi.org/10.17188/1746515
The Materials Project. 2018. "Materials Data on Mg4Si3 by Materials Project". United States. doi:https://doi.org/10.17188/1746515. https://www.osti.gov/servlets/purl/1746515. Pub date:Sat Mar 24 00:00:00 EDT 2018
@article{osti_1746515,
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 one-dimensional and consists of one Mg4Si3 ribbon oriented in the (1, 0, 0) direction. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 1-coordinate geometry to one Si atom. The Mg–Si bond length is 2.14 Å. In the second Mg site, Mg is bonded in a 1-coordinate geometry to one Mg and two Si atoms. The Mg–Mg bond length is 1.94 Å. There are one shorter (2.16 Å) and one longer (2.73 Å) Mg–Si bond lengths. In the third Mg site, Mg is bonded in a 1-coordinate geometry to two equivalent Mg and two equivalent Si atoms. There are one shorter (2.06 Å) and one longer (2.63 Å) Mg–Mg bond lengths. There are one shorter (2.25 Å) and one longer (2.57 Å) Mg–Si bond lengths. In the fourth Mg site, Mg is bonded in a 6-coordinate geometry to three Mg and three Si atoms. There are a spread of Mg–Si bond distances ranging from 2.78–3.00 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 1-coordinate geometry to one Mg atom. In the second Si site, Si is bonded in a 1-coordinate geometry to two Mg and one Si atom. The Si–Si bond length is 1.92 Å. In the third Si site, Si is bonded in a 1-coordinate geometry to five Mg and one Si atom.},
doi = {10.17188/1746515},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {3}
}