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Title: Materials Data on Lu4NiB13 by Materials Project

Abstract

Lu4NiB13 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Lu3+ is bonded in a 6-coordinate geometry to fifteen B+1.15- atoms. There are a spread of Lu–B bond distances ranging from 2.51–2.87 Å. Ni3+ is bonded in a 8-coordinate geometry to eight equivalent B+1.15- atoms. All Ni–B bond lengths are 2.15 Å. There are three inequivalent B+1.15- sites. In the first B+1.15- site, B+1.15- is bonded in a cuboctahedral geometry to four equivalent Lu3+ and eight equivalent B+1.15- atoms. All B–B bond lengths are 2.08 Å. In the second B+1.15- site, B+1.15- is bonded in a 3-coordinate geometry to six equivalent Lu3+ and three B+1.15- atoms. There is two shorter (1.76 Å) and one longer (1.86 Å) B–B bond length. In the third B+1.15- site, B+1.15- is bonded in a 9-coordinate geometry to four equivalent Lu3+, one Ni3+, and four B+1.15- atoms. Both B–B bond lengths are 1.80 Å.

Publication Date:
Other Number(s):
mp-1200891
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; Lu4NiB13; B-Lu-Ni
OSTI Identifier:
1724709
DOI:
https://doi.org/10.17188/1724709

Citation Formats

The Materials Project. Materials Data on Lu4NiB13 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1724709.
The Materials Project. Materials Data on Lu4NiB13 by Materials Project. United States. doi:https://doi.org/10.17188/1724709
The Materials Project. 2020. "Materials Data on Lu4NiB13 by Materials Project". United States. doi:https://doi.org/10.17188/1724709. https://www.osti.gov/servlets/purl/1724709. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1724709,
title = {Materials Data on Lu4NiB13 by Materials Project},
author = {The Materials Project},
abstractNote = {Lu4NiB13 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Lu3+ is bonded in a 6-coordinate geometry to fifteen B+1.15- atoms. There are a spread of Lu–B bond distances ranging from 2.51–2.87 Å. Ni3+ is bonded in a 8-coordinate geometry to eight equivalent B+1.15- atoms. All Ni–B bond lengths are 2.15 Å. There are three inequivalent B+1.15- sites. In the first B+1.15- site, B+1.15- is bonded in a cuboctahedral geometry to four equivalent Lu3+ and eight equivalent B+1.15- atoms. All B–B bond lengths are 2.08 Å. In the second B+1.15- site, B+1.15- is bonded in a 3-coordinate geometry to six equivalent Lu3+ and three B+1.15- atoms. There is two shorter (1.76 Å) and one longer (1.86 Å) B–B bond length. In the third B+1.15- site, B+1.15- is bonded in a 9-coordinate geometry to four equivalent Lu3+, one Ni3+, and four B+1.15- atoms. Both B–B bond lengths are 1.80 Å.},
doi = {10.17188/1724709},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}