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Title: Materials Data on MgSi2 by Materials Project

Abstract

MgSi2 is Zirconium Disilicide structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Mg and ten Si atoms. Both Mg–Mg bond lengths are 3.03 Å. There are a spread of Mg–Si bond distances ranging from 2.76–3.04 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Mg and ten Si atoms. There are a spread of Mg–Si bond distances ranging from 2.77–3.04 Å. There are four inequivalent Si sites. In the first Si site, Si is bonded in a 10-coordinate geometry to six Mg and four Si atoms. There are two shorter (2.56 Å) and two longer (2.80 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 4-coordinate geometry to four Mg and two equivalent Si atoms. In the third Si site, Si is bonded in a 4-coordinate geometry to four Mg and two equivalent Si atoms. Both Si–Si bond lengths are 2.79 Å. In the fourth Si site, Si is bonded in a 10-coordinate geometry to six Mg and four Si atoms. Bothmore » Si–Si bond lengths are 2.56 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1100460
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; MgSi2; Mg-Si
OSTI Identifier:
1753620
DOI:
https://doi.org/10.17188/1753620

Citation Formats

The Materials Project. Materials Data on MgSi2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753620.
The Materials Project. Materials Data on MgSi2 by Materials Project. United States. doi:https://doi.org/10.17188/1753620
The Materials Project. 2020. "Materials Data on MgSi2 by Materials Project". United States. doi:https://doi.org/10.17188/1753620. https://www.osti.gov/servlets/purl/1753620. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1753620,
title = {Materials Data on MgSi2 by Materials Project},
author = {The Materials Project},
abstractNote = {MgSi2 is Zirconium Disilicide structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Mg and ten Si atoms. Both Mg–Mg bond lengths are 3.03 Å. There are a spread of Mg–Si bond distances ranging from 2.76–3.04 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Mg and ten Si atoms. There are a spread of Mg–Si bond distances ranging from 2.77–3.04 Å. There are four inequivalent Si sites. In the first Si site, Si is bonded in a 10-coordinate geometry to six Mg and four Si atoms. There are two shorter (2.56 Å) and two longer (2.80 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 4-coordinate geometry to four Mg and two equivalent Si atoms. In the third Si site, Si is bonded in a 4-coordinate geometry to four Mg and two equivalent Si atoms. Both Si–Si bond lengths are 2.79 Å. In the fourth Si site, Si is bonded in a 10-coordinate geometry to six Mg and four Si atoms. Both Si–Si bond lengths are 2.56 Å.},
doi = {10.17188/1753620},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}