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Title: Materials Data on NaUO3 by Materials Project

Abstract

NaUO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.43–2.96 Å. U5+ is bonded to six O2- atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles are 31°. There are four shorter (2.16 Å) and two longer (2.17 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 three equivalent Na1+ and two equivalent U5+ atoms. In the second O2- site, O2- is bonded to two equivalent Na1+ and two equivalent U5+ atoms to form distorted corner-sharing ONa2U2 tetrahedra.

Publication Date:
Other Number(s):
mp-5788
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; NaUO3; Na-O-U
OSTI Identifier:
1273016
DOI:
10.17188/1273016

Citation Formats

The Materials Project. Materials Data on NaUO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1273016.
The Materials Project. Materials Data on NaUO3 by Materials Project. United States. doi:10.17188/1273016.
The Materials Project. 2020. "Materials Data on NaUO3 by Materials Project". United States. doi:10.17188/1273016. https://www.osti.gov/servlets/purl/1273016. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1273016,
title = {Materials Data on NaUO3 by Materials Project},
author = {The Materials Project},
abstractNote = {NaUO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.43–2.96 Å. U5+ is bonded to six O2- atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles are 31°. There are four shorter (2.16 Å) and two longer (2.17 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 three equivalent Na1+ and two equivalent U5+ atoms. In the second O2- site, O2- is bonded to two equivalent Na1+ and two equivalent U5+ atoms to form distorted corner-sharing ONa2U2 tetrahedra.},
doi = {10.17188/1273016},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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