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Title: Materials Data on Mg2Si3 by Materials Project

Abstract

Mg2Si3 is Magnesium tetraboride-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 7-coordinate geometry to seven Si+1.33- atoms. There are a spread of Mg–Si bond distances ranging from 2.66–2.94 Å. In the second Mg2+ site, Mg2+ is bonded in a 7-coordinate geometry to seven Si+1.33- atoms. There are a spread of Mg–Si bond distances ranging from 2.77–3.10 Å. There are three inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 8-coordinate geometry to five Mg2+ and three Si+1.33- atoms. There are one shorter (2.47 Å) and two longer (2.51 Å) Si–Si bond lengths. In the second Si+1.33- site, Si+1.33- is bonded in a 8-coordinate geometry to four Mg2+ and four Si+1.33- atoms. Both Si–Si bond lengths are 2.59 Å. In the third Si+1.33- site, Si+1.33- is bonded in a 1-coordinate geometry to five Mg2+ and four Si+1.33- atoms. Both Si–Si bond lengths are 2.71 Å.

Publication Date:
Other Number(s):
mp-1073136
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; Mg2Si3; Mg-Si
OSTI Identifier:
1744728
DOI:
https://doi.org/10.17188/1744728

Citation Formats

The Materials Project. Materials Data on Mg2Si3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744728.
The Materials Project. Materials Data on Mg2Si3 by Materials Project. United States. doi:https://doi.org/10.17188/1744728
The Materials Project. 2020. "Materials Data on Mg2Si3 by Materials Project". United States. doi:https://doi.org/10.17188/1744728. https://www.osti.gov/servlets/purl/1744728. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1744728,
title = {Materials Data on Mg2Si3 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg2Si3 is Magnesium tetraboride-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 7-coordinate geometry to seven Si+1.33- atoms. There are a spread of Mg–Si bond distances ranging from 2.66–2.94 Å. In the second Mg2+ site, Mg2+ is bonded in a 7-coordinate geometry to seven Si+1.33- atoms. There are a spread of Mg–Si bond distances ranging from 2.77–3.10 Å. There are three inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 8-coordinate geometry to five Mg2+ and three Si+1.33- atoms. There are one shorter (2.47 Å) and two longer (2.51 Å) Si–Si bond lengths. In the second Si+1.33- site, Si+1.33- is bonded in a 8-coordinate geometry to four Mg2+ and four Si+1.33- atoms. Both Si–Si bond lengths are 2.59 Å. In the third Si+1.33- site, Si+1.33- is bonded in a 1-coordinate geometry to five Mg2+ and four Si+1.33- atoms. Both Si–Si bond lengths are 2.71 Å.},
doi = {10.17188/1744728},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}