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Title: Materials Data on Mg2(AlSi2)3 by Materials Project

Abstract

Mg2(AlSi2)3 is Magnesium tetraboride-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded in a 6-coordinate geometry to one Al and seven Si atoms. The Mg–Al bond length is 2.71 Å. There are a spread of Mg–Si bond distances ranging from 2.80–3.12 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 4-coordinate geometry to six Si atoms. There are a spread of Al–Si bond distances ranging from 2.73–3.04 Å. In the second Al site, Al is bonded in a 6-coordinate geometry to two equivalent Mg and four equivalent Si atoms. All Al–Si bond lengths are 2.62 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 6-coordinate geometry to two equivalent Mg and four Si atoms. There are two shorter (2.43 Å) and two longer (2.48 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 9-coordinate geometry to two equivalent Mg, six Al, and one Si atom. In the third Si site, Si is bonded in a 8-coordinate geometry to three equivalent Mg, two equivalent Al, and three equivalent Si atoms.

Publication Date:
Other Number(s):
mp-1207132
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; Mg2(AlSi2)3; Al-Mg-Si
OSTI Identifier:
1652806
DOI:
https://doi.org/10.17188/1652806

Citation Formats

The Materials Project. Materials Data on Mg2(AlSi2)3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1652806.
The Materials Project. Materials Data on Mg2(AlSi2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1652806
The Materials Project. 2019. "Materials Data on Mg2(AlSi2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1652806. https://www.osti.gov/servlets/purl/1652806. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1652806,
title = {Materials Data on Mg2(AlSi2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg2(AlSi2)3 is Magnesium tetraboride-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded in a 6-coordinate geometry to one Al and seven Si atoms. The Mg–Al bond length is 2.71 Å. There are a spread of Mg–Si bond distances ranging from 2.80–3.12 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 4-coordinate geometry to six Si atoms. There are a spread of Al–Si bond distances ranging from 2.73–3.04 Å. In the second Al site, Al is bonded in a 6-coordinate geometry to two equivalent Mg and four equivalent Si atoms. All Al–Si bond lengths are 2.62 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 6-coordinate geometry to two equivalent Mg and four Si atoms. There are two shorter (2.43 Å) and two longer (2.48 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 9-coordinate geometry to two equivalent Mg, six Al, and one Si atom. In the third Si site, Si is bonded in a 8-coordinate geometry to three equivalent Mg, two equivalent Al, and three equivalent Si atoms.},
doi = {10.17188/1652806},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}