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Title: Materials Data on UNiB4 by Materials Project

Abstract

UNiB4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent U4+ sites. In the first U4+ site, U4+ is bonded in a 12-coordinate geometry to sixteen B+1.50- atoms. There are twelve shorter (2.76 Å) and four longer (2.85 Å) U–B bond lengths. In the second U4+ site, U4+ is bonded in a 8-coordinate geometry to sixteen B+1.50- atoms. There are eight shorter (2.77 Å) and eight longer (2.83 Å) U–B bond lengths. Ni2+ is bonded in a 6-coordinate geometry to six B+1.50- atoms. There are two shorter (2.07 Å) and four longer (2.17 Å) Ni–B bond lengths. There are two inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four U4+, one Ni2+, and four B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.65–1.76 Å. In the second B+1.50- site, B+1.50- is bonded in a 1-coordinate geometry to four U4+, two equivalent Ni2+, and three B+1.50- atoms. The B–B bond length is 1.66 Å.

Authors:
Publication Date:
Other Number(s):
mp-972320
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; UNiB4; B-Ni-U
OSTI Identifier:
1313805
DOI:
https://doi.org/10.17188/1313805

Citation Formats

The Materials Project. Materials Data on UNiB4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1313805.
The Materials Project. Materials Data on UNiB4 by Materials Project. United States. doi:https://doi.org/10.17188/1313805
The Materials Project. 2020. "Materials Data on UNiB4 by Materials Project". United States. doi:https://doi.org/10.17188/1313805. https://www.osti.gov/servlets/purl/1313805. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1313805,
title = {Materials Data on UNiB4 by Materials Project},
author = {The Materials Project},
abstractNote = {UNiB4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent U4+ sites. In the first U4+ site, U4+ is bonded in a 12-coordinate geometry to sixteen B+1.50- atoms. There are twelve shorter (2.76 Å) and four longer (2.85 Å) U–B bond lengths. In the second U4+ site, U4+ is bonded in a 8-coordinate geometry to sixteen B+1.50- atoms. There are eight shorter (2.77 Å) and eight longer (2.83 Å) U–B bond lengths. Ni2+ is bonded in a 6-coordinate geometry to six B+1.50- atoms. There are two shorter (2.07 Å) and four longer (2.17 Å) Ni–B bond lengths. There are two inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four U4+, one Ni2+, and four B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.65–1.76 Å. In the second B+1.50- site, B+1.50- is bonded in a 1-coordinate geometry to four U4+, two equivalent Ni2+, and three B+1.50- atoms. The B–B bond length is 1.66 Å.},
doi = {10.17188/1313805},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}