DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on NaU3O8 by Materials Project

Abstract

NaU3O8 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Na1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are three shorter (2.42 Å) and six longer (2.68 Å) Na–O bond lengths. U5+ is bonded to six O2- atoms to form distorted corner-sharing UO6 octahedra. The corner-sharing octahedra tilt angles range from 5–60°. There are a spread of U–O bond distances ranging from 2.12–2.22 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a T-shaped geometry to one Na1+ and two equivalent U5+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Na1+ and two equivalent U5+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to three equivalent U5+ atoms.

Publication Date:
Other Number(s):
mp-1210061
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; NaU3O8; Na-O-U
OSTI Identifier:
1729000
DOI:
https://doi.org/10.17188/1729000

Citation Formats

The Materials Project. Materials Data on NaU3O8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1729000.
The Materials Project. Materials Data on NaU3O8 by Materials Project. United States. doi:https://doi.org/10.17188/1729000
The Materials Project. 2020. "Materials Data on NaU3O8 by Materials Project". United States. doi:https://doi.org/10.17188/1729000. https://www.osti.gov/servlets/purl/1729000. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1729000,
title = {Materials Data on NaU3O8 by Materials Project},
author = {The Materials Project},
abstractNote = {NaU3O8 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Na1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are three shorter (2.42 Å) and six longer (2.68 Å) Na–O bond lengths. U5+ is bonded to six O2- atoms to form distorted corner-sharing UO6 octahedra. The corner-sharing octahedra tilt angles range from 5–60°. There are a spread of U–O bond distances ranging from 2.12–2.22 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a T-shaped geometry to one Na1+ and two equivalent U5+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Na1+ and two equivalent U5+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to three equivalent U5+ atoms.},
doi = {10.17188/1729000},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}