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Title: Materials Data on Na2UO4 by Materials Project

Abstract

Na2UO4 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with six equivalent NaO6 octahedra, edges with four equivalent NaO6 octahedra, and edges with four equivalent UO6 octahedra. The corner-sharing octahedra tilt angles range from 18–25°. There are four shorter (2.49 Å) and two longer (2.53 Å) Na–O bond lengths. U6+ is bonded to six O2- atoms to form UO6 octahedra that share edges with two equivalent UO6 octahedra and edges with eight equivalent NaO6 octahedra. There are two shorter (1.95 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 see-saw-like geometry to two equivalent Na1+ and two equivalent U6+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Na1+ and one U6+ atom.

Publication Date:
Other Number(s):
mp-546142
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:
1267142
DOI:
10.17188/1267142

Citation Formats

The Materials Project. Materials Data on Na2UO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267142.
The Materials Project. Materials Data on Na2UO4 by Materials Project. United States. doi:10.17188/1267142.
The Materials Project. 2020. "Materials Data on Na2UO4 by Materials Project". United States. doi:10.17188/1267142. https://www.osti.gov/servlets/purl/1267142. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1267142,
title = {Materials Data on Na2UO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2UO4 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with six equivalent NaO6 octahedra, edges with four equivalent NaO6 octahedra, and edges with four equivalent UO6 octahedra. The corner-sharing octahedra tilt angles range from 18–25°. There are four shorter (2.49 Å) and two longer (2.53 Å) Na–O bond lengths. U6+ is bonded to six O2- atoms to form UO6 octahedra that share edges with two equivalent UO6 octahedra and edges with eight equivalent NaO6 octahedra. There are two shorter (1.95 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 see-saw-like geometry to two equivalent Na1+ and two equivalent U6+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Na1+ and one U6+ atom.},
doi = {10.17188/1267142},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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