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Title: Materials Data on Cs2NpBr6 by Materials Project

Abstract

Cs2NpBr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Br1- atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent CsBr12 cuboctahedra, faces with six equivalent CsBr12 cuboctahedra, and faces with four equivalent NpBr6 octahedra. All Cs–Br bond lengths are 4.01 Å. Np4+ is bonded to six equivalent Br1- atoms to form NpBr6 octahedra that share faces with eight equivalent CsBr12 cuboctahedra. All Np–Br bond lengths are 2.77 Å. Br1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Np4+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-647426
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; Cs2NpBr6; Br-Cs-Np
OSTI Identifier:
1280712
DOI:
10.17188/1280712

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Cs2NpBr6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280712.
Persson, Kristin, & Project, Materials. Materials Data on Cs2NpBr6 by Materials Project. United States. doi:10.17188/1280712.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Cs2NpBr6 by Materials Project". United States. doi:10.17188/1280712. https://www.osti.gov/servlets/purl/1280712. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1280712,
title = {Materials Data on Cs2NpBr6 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Cs2NpBr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Br1- atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent CsBr12 cuboctahedra, faces with six equivalent CsBr12 cuboctahedra, and faces with four equivalent NpBr6 octahedra. All Cs–Br bond lengths are 4.01 Å. Np4+ is bonded to six equivalent Br1- atoms to form NpBr6 octahedra that share faces with eight equivalent CsBr12 cuboctahedra. All Np–Br bond lengths are 2.77 Å. Br1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Np4+ atom.},
doi = {10.17188/1280712},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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