skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Ba5Al5Pb by Materials Project

Abstract

Ba5Al5Pb crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are three inequivalent Ba sites. In the first Ba site, Ba is bonded in a 9-coordinate geometry to six Al and three equivalent Pb atoms. There are three shorter (3.74 Å) and three longer (3.79 Å) Ba–Al bond lengths. All Ba–Pb bond lengths are 4.19 Å. In the second Ba site, Ba is bonded in a 1-coordinate geometry to nine Al and one Pb atom. There are three shorter (3.53 Å) and six longer (3.61 Å) Ba–Al bond lengths. The Ba–Pb bond length is 3.70 Å. In the third Ba site, Ba is bonded to two equivalent Al and three equivalent Pb atoms to form corner-sharing BaAl2Pb3 trigonal bipyramids. Both Ba–Al bond lengths are 3.63 Å. All Ba–Pb bond lengths are 3.53 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to seven Ba and three equivalent Al atoms. All Al–Al bond lengths are 2.74 Å. In the second Al site, Al is bonded in a distorted q6 geometry to six Ba and four Al atoms. Both Al–Al bond lengths are 2.84 Å. Pb is bonded tomore » eleven Ba atoms to form distorted face-sharing PbBa11 trigonal bipyramids.« less

Publication Date:
Other Number(s):
mp-568809
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; Ba5Al5Pb; Al-Ba-Pb
OSTI Identifier:
1274709
DOI:
10.17188/1274709

Citation Formats

The Materials Project. Materials Data on Ba5Al5Pb by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274709.
The Materials Project. Materials Data on Ba5Al5Pb by Materials Project. United States. doi:10.17188/1274709.
The Materials Project. 2020. "Materials Data on Ba5Al5Pb by Materials Project". United States. doi:10.17188/1274709. https://www.osti.gov/servlets/purl/1274709. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1274709,
title = {Materials Data on Ba5Al5Pb by Materials Project},
author = {The Materials Project},
abstractNote = {Ba5Al5Pb crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are three inequivalent Ba sites. In the first Ba site, Ba is bonded in a 9-coordinate geometry to six Al and three equivalent Pb atoms. There are three shorter (3.74 Å) and three longer (3.79 Å) Ba–Al bond lengths. All Ba–Pb bond lengths are 4.19 Å. In the second Ba site, Ba is bonded in a 1-coordinate geometry to nine Al and one Pb atom. There are three shorter (3.53 Å) and six longer (3.61 Å) Ba–Al bond lengths. The Ba–Pb bond length is 3.70 Å. In the third Ba site, Ba is bonded to two equivalent Al and three equivalent Pb atoms to form corner-sharing BaAl2Pb3 trigonal bipyramids. Both Ba–Al bond lengths are 3.63 Å. All Ba–Pb bond lengths are 3.53 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to seven Ba and three equivalent Al atoms. All Al–Al bond lengths are 2.74 Å. In the second Al site, Al is bonded in a distorted q6 geometry to six Ba and four Al atoms. Both Al–Al bond lengths are 2.84 Å. Pb is bonded to eleven Ba atoms to form distorted face-sharing PbBa11 trigonal bipyramids.},
doi = {10.17188/1274709},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: