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

Title: Materials Data on Pu2S3 by Materials Project

Abstract

Pu2S3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Pu3+ sites. In the first Pu3+ site, Pu3+ is bonded to eight S2- atoms to form a mixture of distorted corner, edge, and face-sharing PuS8 hexagonal bipyramids. There are a spread of Pu–S bond distances ranging from 2.77–2.96 Å. In the second Pu3+ site, Pu3+ is bonded to eight S2- atoms to form a mixture of distorted corner, edge, and face-sharing PuS8 hexagonal bipyramids. There are a spread of Pu–S bond distances ranging from 2.80–2.98 Å. In the third Pu3+ site, Pu3+ is bonded to eight S2- atoms to form a mixture of distorted corner, edge, and face-sharing PuS8 hexagonal bipyramids. There are a spread of Pu–S bond distances ranging from 2.76–3.04 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to five Pu3+ atoms to form a mixture of distorted corner, edge, and face-sharing SPu5 square pyramids. In the second S2- site, S2- is bonded in a 6-coordinate geometry to six Pu3+ atoms. In the third S2- site, S2- is bonded to five Pu3+ atoms to form a mixture of distorted corner, edge, and face-sharing SPu5 squaremore » pyramids.« less

Publication Date:
Other Number(s):
mp-33239
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; Pu2S3; Pu-S
OSTI Identifier:
1206527
DOI:
https://doi.org/10.17188/1206527

Citation Formats

The Materials Project. Materials Data on Pu2S3 by Materials Project. United States: N. p., 2016. Web. doi:10.17188/1206527.
The Materials Project. Materials Data on Pu2S3 by Materials Project. United States. doi:https://doi.org/10.17188/1206527
The Materials Project. 2016. "Materials Data on Pu2S3 by Materials Project". United States. doi:https://doi.org/10.17188/1206527. https://www.osti.gov/servlets/purl/1206527. Pub date:Tue Oct 04 00:00:00 EDT 2016
@article{osti_1206527,
title = {Materials Data on Pu2S3 by Materials Project},
author = {The Materials Project},
abstractNote = {Pu2S3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Pu3+ sites. In the first Pu3+ site, Pu3+ is bonded to eight S2- atoms to form a mixture of distorted corner, edge, and face-sharing PuS8 hexagonal bipyramids. There are a spread of Pu–S bond distances ranging from 2.77–2.96 Å. In the second Pu3+ site, Pu3+ is bonded to eight S2- atoms to form a mixture of distorted corner, edge, and face-sharing PuS8 hexagonal bipyramids. There are a spread of Pu–S bond distances ranging from 2.80–2.98 Å. In the third Pu3+ site, Pu3+ is bonded to eight S2- atoms to form a mixture of distorted corner, edge, and face-sharing PuS8 hexagonal bipyramids. There are a spread of Pu–S bond distances ranging from 2.76–3.04 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to five Pu3+ atoms to form a mixture of distorted corner, edge, and face-sharing SPu5 square pyramids. In the second S2- site, S2- is bonded in a 6-coordinate geometry to six Pu3+ atoms. In the third S2- site, S2- is bonded to five Pu3+ atoms to form a mixture of distorted corner, edge, and face-sharing SPu5 square pyramids.},
doi = {10.17188/1206527},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2016},
month = {10}
}