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Title: Materials Data on UB4 by Materials Project

Abstract

UB4 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. U6+ is bonded in a 12-coordinate geometry to eighteen B+1.50- atoms. There are a spread of U–B bond distances ranging from 2.67–2.97 Å. There are three inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a distorted trigonal planar geometry to six equivalent U6+ and three B+1.50- atoms. There is two shorter (1.68 Å) and one longer (1.73 Å) B–B bond length. In the second B+1.50- site, B+1.50- is bonded in a 1-coordinate geometry to four equivalent U6+ and five B+1.50- atoms. There is one shorter (1.58 Å) and four longer (1.75 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent U6+ and five B+1.50- atoms. Both B–B bond lengths are 1.82 Å.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-619
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; UB4; B-U
OSTI Identifier:
1277960
DOI:
10.17188/1277960

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on UB4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1277960.
Persson, Kristin, & Project, Materials. Materials Data on UB4 by Materials Project. United States. doi:10.17188/1277960.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on UB4 by Materials Project". United States. doi:10.17188/1277960. https://www.osti.gov/servlets/purl/1277960. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1277960,
title = {Materials Data on UB4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {UB4 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. U6+ is bonded in a 12-coordinate geometry to eighteen B+1.50- atoms. There are a spread of U–B bond distances ranging from 2.67–2.97 Å. There are three inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a distorted trigonal planar geometry to six equivalent U6+ and three B+1.50- atoms. There is two shorter (1.68 Å) and one longer (1.73 Å) B–B bond length. In the second B+1.50- site, B+1.50- is bonded in a 1-coordinate geometry to four equivalent U6+ and five B+1.50- atoms. There is one shorter (1.58 Å) and four longer (1.75 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent U6+ and five B+1.50- atoms. Both B–B bond lengths are 1.82 Å.},
doi = {10.17188/1277960},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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