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Title: Materials Data on BaBe13 by Materials Project

Abstract

BaBe13 crystallizes in the cubic Fm-3c space group. The structure is three-dimensional. Ba is bonded in a 1-coordinate geometry to twenty-four equivalent Be atoms. All Ba–Be bond lengths are 3.15 Å. There are two inequivalent Be sites. In the first Be site, Be is bonded to two equivalent Ba and ten Be atoms to form a mixture of edge, corner, and face-sharing BeBa2Be10 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.17–2.41 Å. In the second Be site, Be is bonded to twelve equivalent Be atoms to form a mixture of corner and face-sharing BeBe12 cuboctahedra.

Authors:
Publication Date:
Other Number(s):
mp-30425
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; BaBe13; Ba-Be
OSTI Identifier:
1204834
DOI:
https://doi.org/10.17188/1204834

Citation Formats

The Materials Project. Materials Data on BaBe13 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204834.
The Materials Project. Materials Data on BaBe13 by Materials Project. United States. doi:https://doi.org/10.17188/1204834
The Materials Project. 2020. "Materials Data on BaBe13 by Materials Project". United States. doi:https://doi.org/10.17188/1204834. https://www.osti.gov/servlets/purl/1204834. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1204834,
title = {Materials Data on BaBe13 by Materials Project},
author = {The Materials Project},
abstractNote = {BaBe13 crystallizes in the cubic Fm-3c space group. The structure is three-dimensional. Ba is bonded in a 1-coordinate geometry to twenty-four equivalent Be atoms. All Ba–Be bond lengths are 3.15 Å. There are two inequivalent Be sites. In the first Be site, Be is bonded to two equivalent Ba and ten Be atoms to form a mixture of edge, corner, and face-sharing BeBa2Be10 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.17–2.41 Å. In the second Be site, Be is bonded to twelve equivalent Be atoms to form a mixture of corner and face-sharing BeBe12 cuboctahedra.},
doi = {10.17188/1204834},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}