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Title: Materials Data on NaUBO5 by Materials Project

Abstract

NaUBO5 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.41–2.89 Å. U6+ is bonded to seven O2- atoms to form distorted edge-sharing UO7 pentagonal bipyramids. There are a spread of U–O bond distances ranging from 1.84–2.45 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.38 Å) and two longer (1.39 Å) B–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent U6+ and one B3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one U6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Na1+ and one U6+ atom. In the fourth O2- site, O2- is bonded to two equivalent Na1+, one U6+, and one B3+ atom to form distorted corner-sharing ONa2UB tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-557744
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; NaUBO5; B-Na-O-U
OSTI Identifier:
1269986
DOI:
10.17188/1269986

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on NaUBO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269986.
Persson, Kristin, & Project, Materials. Materials Data on NaUBO5 by Materials Project. United States. doi:10.17188/1269986.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on NaUBO5 by Materials Project". United States. doi:10.17188/1269986. https://www.osti.gov/servlets/purl/1269986. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1269986,
title = {Materials Data on NaUBO5 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {NaUBO5 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.41–2.89 Å. U6+ is bonded to seven O2- atoms to form distorted edge-sharing UO7 pentagonal bipyramids. There are a spread of U–O bond distances ranging from 1.84–2.45 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.38 Å) and two longer (1.39 Å) B–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent U6+ and one B3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one U6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Na1+ and one U6+ atom. In the fourth O2- site, O2- is bonded to two equivalent Na1+, one U6+, and one B3+ atom to form distorted corner-sharing ONa2UB tetrahedra.},
doi = {10.17188/1269986},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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