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Title: Materials Data on PuBe13 by Materials Project

Abstract

Be13Pu crystallizes in the cubic Fm-3c space group. The structure is three-dimensional. there are two inequivalent Be sites. In the first Be site, Be is bonded to twelve equivalent Be atoms to form a mixture of face and corner-sharing BeBe12 cuboctahedra. All Be–Be bond lengths are 2.14 Å. In the second Be site, Be is bonded to ten Be and two equivalent Pu atoms to form distorted BePu2Be10 cuboctahedra that share corners with twenty-eight BeBe12 cuboctahedra, edges with eight equivalent BePu2Be10 cuboctahedra, and faces with twenty-five BeBe12 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.23–2.34 Å. Both Be–Pu bond lengths are 3.00 Å. Pu is bonded in a 1-coordinate geometry to twenty-four equivalent Be atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-337
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; PuBe13; Be-Pu
OSTI Identifier:
1206646
DOI:
10.17188/1206646

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on PuBe13 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206646.
Persson, Kristin, & Project, Materials. Materials Data on PuBe13 by Materials Project. United States. doi:10.17188/1206646.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on PuBe13 by Materials Project". United States. doi:10.17188/1206646. https://www.osti.gov/servlets/purl/1206646. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1206646,
title = {Materials Data on PuBe13 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Be13Pu crystallizes in the cubic Fm-3c space group. The structure is three-dimensional. there are two inequivalent Be sites. In the first Be site, Be is bonded to twelve equivalent Be atoms to form a mixture of face and corner-sharing BeBe12 cuboctahedra. All Be–Be bond lengths are 2.14 Å. In the second Be site, Be is bonded to ten Be and two equivalent Pu atoms to form distorted BePu2Be10 cuboctahedra that share corners with twenty-eight BeBe12 cuboctahedra, edges with eight equivalent BePu2Be10 cuboctahedra, and faces with twenty-five BeBe12 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.23–2.34 Å. Both Be–Pu bond lengths are 3.00 Å. Pu is bonded in a 1-coordinate geometry to twenty-four equivalent Be atoms.},
doi = {10.17188/1206646},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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