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Title: Materials Data on Na3UF7 by Materials Project

Abstract

Na3UF7 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Na–F bond distances ranging from 2.35–2.58 Å. In the second Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Na–F bond distances ranging from 2.33–2.77 Å. U4+ is bonded in a distorted pentagonal bipyramidal geometry to seven F1- atoms. There are a spread of U–F bond distances ranging from 2.20–2.32 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded to three Na1+ and one U4+ atom to form a mixture of distorted edge and corner-sharing FNa3U trigonal pyramids. In the second F1- site, F1- is bonded to three Na1+ and one U4+ atom to form a mixture of edge and corner-sharing FNa3U tetrahedra. In the third F1- site, F1- is bonded in a 4-coordinate geometry to three Na1+ and one U4+ atom. In the fourth F1- site, F1- is bonded to three Na1+ and one U4+ atom to form a mixture of edge and corner-sharing FNa3Umore » tetrahedra. In the fifth F1- site, F1- is bonded to three Na1+ and one U4+ atom to form a mixture of edge and corner-sharing FNa3U tetrahedra.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-35589
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; Na3UF7; F-Na-U
OSTI Identifier:
1207013
DOI:
10.17188/1207013

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Na3UF7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207013.
Persson, Kristin, & Project, Materials. Materials Data on Na3UF7 by Materials Project. United States. doi:10.17188/1207013.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Na3UF7 by Materials Project". United States. doi:10.17188/1207013. https://www.osti.gov/servlets/purl/1207013. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1207013,
title = {Materials Data on Na3UF7 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Na3UF7 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Na–F bond distances ranging from 2.35–2.58 Å. In the second Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Na–F bond distances ranging from 2.33–2.77 Å. U4+ is bonded in a distorted pentagonal bipyramidal geometry to seven F1- atoms. There are a spread of U–F bond distances ranging from 2.20–2.32 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded to three Na1+ and one U4+ atom to form a mixture of distorted edge and corner-sharing FNa3U trigonal pyramids. In the second F1- site, F1- is bonded to three Na1+ and one U4+ atom to form a mixture of edge and corner-sharing FNa3U tetrahedra. In the third F1- site, F1- is bonded in a 4-coordinate geometry to three Na1+ and one U4+ atom. In the fourth F1- site, F1- is bonded to three Na1+ and one U4+ atom to form a mixture of edge and corner-sharing FNa3U tetrahedra. In the fifth F1- site, F1- is bonded to three Na1+ and one U4+ atom to form a mixture of edge and corner-sharing FNa3U tetrahedra.},
doi = {10.17188/1207013},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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