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Title: Materials Data on Na2UF6 by Materials Project

Abstract

Na2UF6 is alpha bismuth trifluoride-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Na1+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Na–F bond distances ranging from 2.43–2.51 Å. U4+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are four shorter (2.21 Å) and four longer (2.40 Å) U–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent Na1+ and two equivalent U4+ atoms to form a mixture of edge and corner-sharing FNa2U2 tetrahedra. In the second F1- site, F1- is bonded to three equivalent Na1+ and one U4+ atom to form a mixture of edge and corner-sharing FNa3U tetrahedra.

Publication Date:
Other Number(s):
mp-555679
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; Na2UF6; F-Na-U
OSTI Identifier:
1268933
DOI:
10.17188/1268933

Citation Formats

The Materials Project. Materials Data on Na2UF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268933.
The Materials Project. Materials Data on Na2UF6 by Materials Project. United States. doi:10.17188/1268933.
The Materials Project. 2020. "Materials Data on Na2UF6 by Materials Project". United States. doi:10.17188/1268933. https://www.osti.gov/servlets/purl/1268933. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1268933,
title = {Materials Data on Na2UF6 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2UF6 is alpha bismuth trifluoride-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Na1+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Na–F bond distances ranging from 2.43–2.51 Å. U4+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are four shorter (2.21 Å) and four longer (2.40 Å) U–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent Na1+ and two equivalent U4+ atoms to form a mixture of edge and corner-sharing FNa2U2 tetrahedra. In the second F1- site, F1- is bonded to three equivalent Na1+ and one U4+ atom to form a mixture of edge and corner-sharing FNa3U tetrahedra.},
doi = {10.17188/1268933},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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