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Title: Materials Data on GdFeB4 by Materials Project

Abstract

GdFeB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Gd3+ is bonded in a 4-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Gd–B bond distances ranging from 2.60–2.72 Å. Fe3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Fe–B bond distances ranging from 2.21–2.29 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Gd3+, two equivalent Fe3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.73–1.82 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Gd3+, two equivalent Fe3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.73–1.86 Å. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Gd3+, two equivalent Fe3+, and three B+1.50- atoms. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Gd3+, four equivalent Fe3+, and three B+1.50- atoms. The B–B bond length is 1.69 Å.

Authors:
Publication Date:
Other Number(s):
mp-866656
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; GdFeB4; B-Fe-Gd
OSTI Identifier:
1311648
DOI:
https://doi.org/10.17188/1311648

Citation Formats

The Materials Project. Materials Data on GdFeB4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1311648.
The Materials Project. Materials Data on GdFeB4 by Materials Project. United States. doi:https://doi.org/10.17188/1311648
The Materials Project. 2020. "Materials Data on GdFeB4 by Materials Project". United States. doi:https://doi.org/10.17188/1311648. https://www.osti.gov/servlets/purl/1311648. Pub date:Tue Jul 21 00:00:00 EDT 2020
@article{osti_1311648,
title = {Materials Data on GdFeB4 by Materials Project},
author = {The Materials Project},
abstractNote = {GdFeB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Gd3+ is bonded in a 4-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Gd–B bond distances ranging from 2.60–2.72 Å. Fe3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Fe–B bond distances ranging from 2.21–2.29 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Gd3+, two equivalent Fe3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.73–1.82 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Gd3+, two equivalent Fe3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.73–1.86 Å. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Gd3+, two equivalent Fe3+, and three B+1.50- atoms. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Gd3+, four equivalent Fe3+, and three B+1.50- atoms. The B–B bond length is 1.69 Å.},
doi = {10.17188/1311648},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}