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Title: Materials Data on Na2UO3 by Materials Project

Abstract

Na2UO3 is Clathrate-derived structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four O2- atoms to form corner-sharing NaO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.31–2.41 Å. In the second Na1+ site, Na1+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Na–O bond distances ranging from 2.30–2.41 Å. U4+ is bonded in a see-saw-like geometry to four O2- atoms. There are a spread of U–O bond distances ranging from 1.96–2.20 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three Na1+ and one U4+ atom to form a mixture of distorted edge and corner-sharing ONa3U trigonal pyramids. In the second O2- site, O2- is bonded in a trigonal planar geometry to one Na1+ and two equivalent U4+ atoms. In the third O2- site, O2- is bonded to three Na1+ and one U4+ atom to form a mixture of distorted edge and corner-sharing ONa3U trigonal pyramids.

Publication Date:
Other Number(s):
mp-1173743
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; Na2UO3; Na-O-U
OSTI Identifier:
1664148
DOI:
https://doi.org/10.17188/1664148

Citation Formats

The Materials Project. Materials Data on Na2UO3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1664148.
The Materials Project. Materials Data on Na2UO3 by Materials Project. United States. doi:https://doi.org/10.17188/1664148
The Materials Project. 2019. "Materials Data on Na2UO3 by Materials Project". United States. doi:https://doi.org/10.17188/1664148. https://www.osti.gov/servlets/purl/1664148. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1664148,
title = {Materials Data on Na2UO3 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2UO3 is Clathrate-derived structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four O2- atoms to form corner-sharing NaO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.31–2.41 Å. In the second Na1+ site, Na1+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Na–O bond distances ranging from 2.30–2.41 Å. U4+ is bonded in a see-saw-like geometry to four O2- atoms. There are a spread of U–O bond distances ranging from 1.96–2.20 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three Na1+ and one U4+ atom to form a mixture of distorted edge and corner-sharing ONa3U trigonal pyramids. In the second O2- site, O2- is bonded in a trigonal planar geometry to one Na1+ and two equivalent U4+ atoms. In the third O2- site, O2- is bonded to three Na1+ and one U4+ atom to form a mixture of distorted edge and corner-sharing ONa3U trigonal pyramids.},
doi = {10.17188/1664148},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}