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Title: Materials Data on Na2UO4 by Materials Project

Abstract

Na2UO4 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.32–2.91 Å. U6+ is bonded to six O2- atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles are 34°. There are a spread of U–O bond distances ranging from 1.94–2.20 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Na1+ and one U6+ atom to form distorted corner-sharing ONa3U tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Na1+ and two equivalent U6+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-17560
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; Na2UO4; Na-O-U
OSTI Identifier:
1192570
DOI:
10.17188/1192570

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Na2UO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192570.
Persson, Kristin, & Project, Materials. Materials Data on Na2UO4 by Materials Project. United States. doi:10.17188/1192570.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Na2UO4 by Materials Project". United States. doi:10.17188/1192570. https://www.osti.gov/servlets/purl/1192570. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1192570,
title = {Materials Data on Na2UO4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Na2UO4 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.32–2.91 Å. U6+ is bonded to six O2- atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles are 34°. There are a spread of U–O bond distances ranging from 1.94–2.20 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Na1+ and one U6+ atom to form distorted corner-sharing ONa3U tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Na1+ and two equivalent U6+ atoms.},
doi = {10.17188/1192570},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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