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Title: Materials Data on Nd5(FeB3)2 by Materials Project

Abstract

Nd5Fe2B6 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three neodymium molecules and three Nd2FeB3 sheets oriented in the (0, 0, 1) direction. In each Nd2FeB3 sheet, there are two inequivalent Nd+2.80+ sites. In the first Nd+2.80+ site, Nd+2.80+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Nd–B bond lengths are 2.73 Å. In the second Nd+2.80+ site, Nd+2.80+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Nd–B bond lengths are 2.75 Å. Fe2+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Fe–B bond lengths are 2.13 Å. B3- is bonded in a 9-coordinate geometry to four Nd+2.80+, two equivalent Fe2+, and three equivalent B3- atoms. All B–B bond lengths are 1.83 Å.

Publication Date:
Other Number(s):
mp-8793
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; Nd5(FeB3)2; B-Fe-Nd
OSTI Identifier:
1282143
DOI:
10.17188/1282143

Citation Formats

The Materials Project. Materials Data on Nd5(FeB3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282143.
The Materials Project. Materials Data on Nd5(FeB3)2 by Materials Project. United States. doi:10.17188/1282143.
The Materials Project. 2020. "Materials Data on Nd5(FeB3)2 by Materials Project". United States. doi:10.17188/1282143. https://www.osti.gov/servlets/purl/1282143. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1282143,
title = {Materials Data on Nd5(FeB3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd5Fe2B6 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three neodymium molecules and three Nd2FeB3 sheets oriented in the (0, 0, 1) direction. In each Nd2FeB3 sheet, there are two inequivalent Nd+2.80+ sites. In the first Nd+2.80+ site, Nd+2.80+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Nd–B bond lengths are 2.73 Å. In the second Nd+2.80+ site, Nd+2.80+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Nd–B bond lengths are 2.75 Å. Fe2+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Fe–B bond lengths are 2.13 Å. B3- is bonded in a 9-coordinate geometry to four Nd+2.80+, two equivalent Fe2+, and three equivalent B3- atoms. All B–B bond lengths are 1.83 Å.},
doi = {10.17188/1282143},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

Dataset:

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