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Title: Materials Data on Cs2PuCl6 by Materials Project

Abstract

Cs2PuCl6 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with six equivalent CsCl12 cuboctahedra, corners with three equivalent PuCl6 octahedra, faces with eight equivalent CsCl12 cuboctahedra, and faces with three equivalent PuCl6 octahedra. The corner-sharing octahedral tilt angles are 21°. There are a spread of Cs–Cl bond distances ranging from 3.78–3.91 Å. Pu4+ is bonded to six equivalent Cl1- atoms to form PuCl6 octahedra that share corners with six equivalent CsCl12 cuboctahedra and faces with six equivalent CsCl12 cuboctahedra. All Pu–Cl bond lengths are 2.60 Å. Cl1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Pu4+ atom.

Publication Date:
Other Number(s):
mp-571448
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; Cs2PuCl6; Cl-Cs-Pu
OSTI Identifier:
1276265
DOI:
10.17188/1276265

Citation Formats

The Materials Project. Materials Data on Cs2PuCl6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276265.
The Materials Project. Materials Data on Cs2PuCl6 by Materials Project. United States. doi:10.17188/1276265.
The Materials Project. 2020. "Materials Data on Cs2PuCl6 by Materials Project". United States. doi:10.17188/1276265. https://www.osti.gov/servlets/purl/1276265. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1276265,
title = {Materials Data on Cs2PuCl6 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2PuCl6 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with six equivalent CsCl12 cuboctahedra, corners with three equivalent PuCl6 octahedra, faces with eight equivalent CsCl12 cuboctahedra, and faces with three equivalent PuCl6 octahedra. The corner-sharing octahedral tilt angles are 21°. There are a spread of Cs–Cl bond distances ranging from 3.78–3.91 Å. Pu4+ is bonded to six equivalent Cl1- atoms to form PuCl6 octahedra that share corners with six equivalent CsCl12 cuboctahedra and faces with six equivalent CsCl12 cuboctahedra. All Pu–Cl bond lengths are 2.60 Å. Cl1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Pu4+ atom.},
doi = {10.17188/1276265},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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