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Title: Materials Data on Er4NiB13 by Materials Project

Abstract

Er4NiB13 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Er3+ is bonded in a 6-coordinate geometry to fifteen B+1.15- atoms. There are a spread of Er–B bond distances ranging from 2.54–2.89 Å. Ni3+ is bonded in a 8-coordinate geometry to eight equivalent B+1.15- atoms. All Ni–B bond lengths are 2.17 Å. There are three inequivalent B+1.15- sites. In the first B+1.15- site, B+1.15- is bonded in a 9-coordinate geometry to four equivalent Er3+, one Ni3+, and four B+1.15- atoms. There are a spread of B–B bond distances ranging from 1.77–2.10 Å. In the second B+1.15- site, B+1.15- is bonded in a 3-coordinate geometry to six equivalent Er3+ and three B+1.15- atoms. The B–B bond length is 1.89 Å. In the third B+1.15- site, B+1.15- is bonded in a cuboctahedral geometry to four equivalent Er3+ and eight equivalent B+1.15- atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-504627
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; Er4NiB13; B-Er-Ni
OSTI Identifier:
1261886
DOI:
10.17188/1261886

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Er4NiB13 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1261886.
Persson, Kristin, & Project, Materials. Materials Data on Er4NiB13 by Materials Project. United States. doi:10.17188/1261886.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Er4NiB13 by Materials Project". United States. doi:10.17188/1261886. https://www.osti.gov/servlets/purl/1261886. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1261886,
title = {Materials Data on Er4NiB13 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Er4NiB13 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Er3+ is bonded in a 6-coordinate geometry to fifteen B+1.15- atoms. There are a spread of Er–B bond distances ranging from 2.54–2.89 Å. Ni3+ is bonded in a 8-coordinate geometry to eight equivalent B+1.15- atoms. All Ni–B bond lengths are 2.17 Å. There are three inequivalent B+1.15- sites. In the first B+1.15- site, B+1.15- is bonded in a 9-coordinate geometry to four equivalent Er3+, one Ni3+, and four B+1.15- atoms. There are a spread of B–B bond distances ranging from 1.77–2.10 Å. In the second B+1.15- site, B+1.15- is bonded in a 3-coordinate geometry to six equivalent Er3+ and three B+1.15- atoms. The B–B bond length is 1.89 Å. In the third B+1.15- site, B+1.15- is bonded in a cuboctahedral geometry to four equivalent Er3+ and eight equivalent B+1.15- atoms.},
doi = {10.17188/1261886},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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