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Title: Materials Data on PuS2 by Materials Project

Abstract

PuS2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pu4+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Pu–S bond distances ranging from 2.84–2.86 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to five equivalent Pu4+ atoms to form a mixture of distorted edge and corner-sharing SPu5 trigonal bipyramids. In the second S2- site, S2- is bonded in a 4-coordinate geometry to four equivalent Pu4+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-639690
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; PuS2; Pu-S
OSTI Identifier:
1279848
DOI:
10.17188/1279848

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on PuS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279848.
Persson, Kristin, & Project, Materials. Materials Data on PuS2 by Materials Project. United States. doi:10.17188/1279848.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on PuS2 by Materials Project". United States. doi:10.17188/1279848. https://www.osti.gov/servlets/purl/1279848. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1279848,
title = {Materials Data on PuS2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {PuS2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pu4+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Pu–S bond distances ranging from 2.84–2.86 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to five equivalent Pu4+ atoms to form a mixture of distorted edge and corner-sharing SPu5 trigonal bipyramids. In the second S2- site, S2- is bonded in a 4-coordinate geometry to four equivalent Pu4+ atoms.},
doi = {10.17188/1279848},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}

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