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Title: Materials Data on Na2UO4 by Materials Project

Abstract

Na2UO4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Na1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.39–2.76 Å. U6+ is bonded to six O2- atoms to form edge-sharing UO6 octahedra. There are two shorter (1.94 Å) and four longer (2.20 Å) U–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Na1+ and one U6+ atom. In the second O2- site, O2- is bonded to three equivalent Na1+ and two equivalent U6+ atoms to form a mixture of distorted corner and edge-sharing ONa3U2 trigonal bipyramids.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-554191
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:
1267787
DOI:
10.17188/1267787

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Na2UO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267787.
Persson, Kristin, & Project, Materials. Materials Data on Na2UO4 by Materials Project. United States. doi:10.17188/1267787.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Na2UO4 by Materials Project". United States. doi:10.17188/1267787. https://www.osti.gov/servlets/purl/1267787. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1267787,
title = {Materials Data on Na2UO4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Na2UO4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Na1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.39–2.76 Å. U6+ is bonded to six O2- atoms to form edge-sharing UO6 octahedra. There are two shorter (1.94 Å) and four longer (2.20 Å) U–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Na1+ and one U6+ atom. In the second O2- site, O2- is bonded to three equivalent Na1+ and two equivalent U6+ atoms to form a mixture of distorted corner and edge-sharing ONa3U2 trigonal bipyramids.},
doi = {10.17188/1267787},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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