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Title: Materials Data on PuOF by Materials Project

Abstract

PuOF is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Pu3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. All Pu–O bond lengths are 2.43 Å. All Pu–F bond lengths are 2.43 Å. O2- is bonded to four equivalent Pu3+ atoms to form distorted OPu4 tetrahedra that share corners with four equivalent FPu4 tetrahedra, corners with twelve equivalent OPu4 tetrahedra, and edges with six equivalent FPu4 tetrahedra. F1- is bonded to four equivalent Pu3+ atoms to form FPu4 tetrahedra that share corners with four equivalent OPu4 tetrahedra, corners with twelve equivalent FPu4 tetrahedra, and edges with six equivalent OPu4 tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-35612
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; PuOF; F-O-Pu
OSTI Identifier:
1207017
DOI:
10.17188/1207017

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on PuOF by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207017.
Persson, Kristin, & Project, Materials. Materials Data on PuOF by Materials Project. United States. doi:10.17188/1207017.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on PuOF by Materials Project". United States. doi:10.17188/1207017. https://www.osti.gov/servlets/purl/1207017. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1207017,
title = {Materials Data on PuOF by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {PuOF is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Pu3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. All Pu–O bond lengths are 2.43 Å. All Pu–F bond lengths are 2.43 Å. O2- is bonded to four equivalent Pu3+ atoms to form distorted OPu4 tetrahedra that share corners with four equivalent FPu4 tetrahedra, corners with twelve equivalent OPu4 tetrahedra, and edges with six equivalent FPu4 tetrahedra. F1- is bonded to four equivalent Pu3+ atoms to form FPu4 tetrahedra that share corners with four equivalent OPu4 tetrahedra, corners with twelve equivalent FPu4 tetrahedra, and edges with six equivalent OPu4 tetrahedra.},
doi = {10.17188/1207017},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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