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Title: Materials Data on PuAl4 by Materials Project

Abstract

PuAl4 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Pu is bonded in a 11-coordinate geometry to thirteen Al atoms. There are a spread of Pu–Al bond distances ranging from 2.97–3.11 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded to four equivalent Pu and eight Al atoms to form a mixture of distorted edge, corner, and face-sharing AlPu4Al8 cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.76–3.07 Å. In the second Al site, Al is bonded in a 9-coordinate geometry to three equivalent Pu and seven Al atoms. There are a spread of Al–Al bond distances ranging from 2.61–3.07 Å. In the third Al site, Al is bonded in a 3-coordinate geometry to three equivalent Pu and ten Al atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-542776
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; PuAl4; Al-Pu
OSTI Identifier:
1266717
DOI:
10.17188/1266717

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on PuAl4 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1266717.
Persson, Kristin, & Project, Materials. Materials Data on PuAl4 by Materials Project. United States. doi:10.17188/1266717.
Persson, Kristin, and Project, Materials. 2019. "Materials Data on PuAl4 by Materials Project". United States. doi:10.17188/1266717. https://www.osti.gov/servlets/purl/1266717. Pub date:Tue Oct 22 00:00:00 EDT 2019
@article{osti_1266717,
title = {Materials Data on PuAl4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {PuAl4 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Pu is bonded in a 11-coordinate geometry to thirteen Al atoms. There are a spread of Pu–Al bond distances ranging from 2.97–3.11 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded to four equivalent Pu and eight Al atoms to form a mixture of distorted edge, corner, and face-sharing AlPu4Al8 cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.76–3.07 Å. In the second Al site, Al is bonded in a 9-coordinate geometry to three equivalent Pu and seven Al atoms. There are a spread of Al–Al bond distances ranging from 2.61–3.07 Å. In the third Al site, Al is bonded in a 3-coordinate geometry to three equivalent Pu and ten Al atoms.},
doi = {10.17188/1266717},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {10}
}

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