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Title: Materials Data on BaSi23 by Materials Project

Abstract

BaSi23 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to twenty Si atoms. There are eight shorter (3.29 Å) and twelve longer (3.40 Å) Ba–Si bond lengths. There are three inequivalent Si sites. In the first Si site, Si is bonded in a distorted pentagonal planar geometry to one Ba and four Si atoms. There are one shorter (2.32 Å) and three longer (2.40 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a tetrahedral geometry to four equivalent Si atoms. All Si–Si bond lengths are 2.39 Å. In the third Si site, Si is bonded in a 5-coordinate geometry to one Ba and four Si atoms. The Si–Si bond length is 2.40 Å.

Publication Date:
Other Number(s):
mp-30185
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; BaSi23; Ba-Si
OSTI Identifier:
1204602
DOI:
https://doi.org/10.17188/1204602

Citation Formats

The Materials Project. Materials Data on BaSi23 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204602.
The Materials Project. Materials Data on BaSi23 by Materials Project. United States. doi:https://doi.org/10.17188/1204602
The Materials Project. 2020. "Materials Data on BaSi23 by Materials Project". United States. doi:https://doi.org/10.17188/1204602. https://www.osti.gov/servlets/purl/1204602. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1204602,
title = {Materials Data on BaSi23 by Materials Project},
author = {The Materials Project},
abstractNote = {BaSi23 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to twenty Si atoms. There are eight shorter (3.29 Å) and twelve longer (3.40 Å) Ba–Si bond lengths. There are three inequivalent Si sites. In the first Si site, Si is bonded in a distorted pentagonal planar geometry to one Ba and four Si atoms. There are one shorter (2.32 Å) and three longer (2.40 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a tetrahedral geometry to four equivalent Si atoms. All Si–Si bond lengths are 2.39 Å. In the third Si site, Si is bonded in a 5-coordinate geometry to one Ba and four Si atoms. The Si–Si bond length is 2.40 Å.},
doi = {10.17188/1204602},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}