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Title: Materials Data on Pu2Se3 by Materials Project

Abstract

Pu2Se3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Pu3+ sites. In the first Pu3+ site, Pu3+ is bonded to seven Se2- atoms to form a mixture of distorted corner and edge-sharing PuSe7 pentagonal bipyramids. There are a spread of Pu–Se bond distances ranging from 2.88–2.96 Å. In the second Pu3+ site, Pu3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Pu–Se bond distances ranging from 2.96–3.45 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Pu3+ atoms to form a mixture of distorted corner and edge-sharing SePu5 square pyramids. In the second Se2- site, Se2- is bonded to five Pu3+ atoms to form a mixture of distorted corner and edge-sharing SePu5 square pyramids. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to five Pu3+ atoms.

Publication Date:
Other Number(s):
mp-1205450
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; Pu2Se3; Pu-Se
OSTI Identifier:
1655609
DOI:
https://doi.org/10.17188/1655609

Citation Formats

The Materials Project. Materials Data on Pu2Se3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1655609.
The Materials Project. Materials Data on Pu2Se3 by Materials Project. United States. doi:https://doi.org/10.17188/1655609
The Materials Project. 2019. "Materials Data on Pu2Se3 by Materials Project". United States. doi:https://doi.org/10.17188/1655609. https://www.osti.gov/servlets/purl/1655609. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1655609,
title = {Materials Data on Pu2Se3 by Materials Project},
author = {The Materials Project},
abstractNote = {Pu2Se3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Pu3+ sites. In the first Pu3+ site, Pu3+ is bonded to seven Se2- atoms to form a mixture of distorted corner and edge-sharing PuSe7 pentagonal bipyramids. There are a spread of Pu–Se bond distances ranging from 2.88–2.96 Å. In the second Pu3+ site, Pu3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Pu–Se bond distances ranging from 2.96–3.45 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Pu3+ atoms to form a mixture of distorted corner and edge-sharing SePu5 square pyramids. In the second Se2- site, Se2- is bonded to five Pu3+ atoms to form a mixture of distorted corner and edge-sharing SePu5 square pyramids. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to five Pu3+ atoms.},
doi = {10.17188/1655609},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}