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Title: Materials Data on Al13(CrSi)4 by Materials Project

Abstract

Al13Cr4Si4 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Cr is bonded in a 3-coordinate geometry to six Al and three equivalent Si atoms. There are three shorter (2.46 Å) and three longer (2.76 Å) Cr–Al bond lengths. All Cr–Si bond lengths are 2.39 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a tetrahedral geometry to four equivalent Si atoms. All Al–Si bond lengths are 2.41 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Cr, eight Al, and two equivalent Si atoms. There are four shorter (2.88 Å) and four longer (2.94 Å) Al–Al bond lengths. Both Al–Si bond lengths are 2.79 Å. In the third Al site, Al is bonded in a 12-coordinate geometry to two equivalent Cr, eight Al, and two equivalent Si atoms. All Al–Al bond lengths are 2.94 Å. Both Al–Si bond lengths are 2.78 Å. Si is bonded in a 10-coordinate geometry to three equivalent Cr and seven Al atoms.

Authors:
Publication Date:
Other Number(s):
mp-505572
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; Al13(CrSi)4; Al-Cr-Si
OSTI Identifier:
1262595
DOI:
https://doi.org/10.17188/1262595

Citation Formats

The Materials Project. Materials Data on Al13(CrSi)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262595.
The Materials Project. Materials Data on Al13(CrSi)4 by Materials Project. United States. doi:https://doi.org/10.17188/1262595
The Materials Project. 2020. "Materials Data on Al13(CrSi)4 by Materials Project". United States. doi:https://doi.org/10.17188/1262595. https://www.osti.gov/servlets/purl/1262595. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1262595,
title = {Materials Data on Al13(CrSi)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Al13Cr4Si4 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Cr is bonded in a 3-coordinate geometry to six Al and three equivalent Si atoms. There are three shorter (2.46 Å) and three longer (2.76 Å) Cr–Al bond lengths. All Cr–Si bond lengths are 2.39 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a tetrahedral geometry to four equivalent Si atoms. All Al–Si bond lengths are 2.41 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Cr, eight Al, and two equivalent Si atoms. There are four shorter (2.88 Å) and four longer (2.94 Å) Al–Al bond lengths. Both Al–Si bond lengths are 2.79 Å. In the third Al site, Al is bonded in a 12-coordinate geometry to two equivalent Cr, eight Al, and two equivalent Si atoms. All Al–Al bond lengths are 2.94 Å. Both Al–Si bond lengths are 2.78 Å. Si is bonded in a 10-coordinate geometry to three equivalent Cr and seven Al atoms.},
doi = {10.17188/1262595},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}