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Title: Materials Data on Ba(AlSi)2 by Materials Project

Abstract

BaAl2Si2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a body-centered cubic geometry to eight equivalent Si4- atoms. All Ba–Si bond lengths are 3.47 Å. Al3+ is bonded to four equivalent Si4- atoms to form a mixture of corner and edge-sharing AlSi4 tetrahedra. All Al–Si bond lengths are 2.56 Å. Si4- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Al3+ atoms.

Publication Date:
Other Number(s):
mp-12863
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; Ba(AlSi)2; Al-Ba-Si
OSTI Identifier:
1189231
DOI:
https://doi.org/10.17188/1189231

Citation Formats

The Materials Project. Materials Data on Ba(AlSi)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1189231.
The Materials Project. Materials Data on Ba(AlSi)2 by Materials Project. United States. doi:https://doi.org/10.17188/1189231
The Materials Project. 2020. "Materials Data on Ba(AlSi)2 by Materials Project". United States. doi:https://doi.org/10.17188/1189231. https://www.osti.gov/servlets/purl/1189231. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1189231,
title = {Materials Data on Ba(AlSi)2 by Materials Project},
author = {The Materials Project},
abstractNote = {BaAl2Si2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a body-centered cubic geometry to eight equivalent Si4- atoms. All Ba–Si bond lengths are 3.47 Å. Al3+ is bonded to four equivalent Si4- atoms to form a mixture of corner and edge-sharing AlSi4 tetrahedra. All Al–Si bond lengths are 2.56 Å. Si4- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Al3+ atoms.},
doi = {10.17188/1189231},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}