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Title: Materials Data on Na2UO4 by Materials Project

Abstract

Na2UO4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Na1+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of Na–O bond distances ranging from 2.26–3.08 Å. U6+ is bonded to six O2- atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.93 Å) and four longer (2.18 Å) U–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to five equivalent Na1+ and one U6+ atom. In the second O2- site, O2- is bonded to four equivalent Na1+ and two equivalent U6+ atoms to form a mixture of distorted corner, edge, and face-sharing ONa4U2 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-7725
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:
1301318
DOI:
10.17188/1301318

Citation Formats

The Materials Project. Materials Data on Na2UO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1301318.
The Materials Project. Materials Data on Na2UO4 by Materials Project. United States. doi:10.17188/1301318.
The Materials Project. 2020. "Materials Data on Na2UO4 by Materials Project". United States. doi:10.17188/1301318. https://www.osti.gov/servlets/purl/1301318. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1301318,
title = {Materials Data on Na2UO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2UO4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Na1+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of Na–O bond distances ranging from 2.26–3.08 Å. U6+ is bonded to six O2- atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.93 Å) and four longer (2.18 Å) U–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to five equivalent Na1+ and one U6+ atom. In the second O2- site, O2- is bonded to four equivalent Na1+ and two equivalent U6+ atoms to form a mixture of distorted corner, edge, and face-sharing ONa4U2 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1301318},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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