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Title: Materials Data on ErFe4B by Materials Project

Abstract

ErFe4B crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 6-coordinate geometry to six equivalent Fe atoms. There are two shorter (2.89 Å) and four longer (2.91 Å) Er–Fe bond lengths. In the second Er site, Er is bonded in a 8-coordinate geometry to twelve Fe and six equivalent B atoms. There are eight shorter (2.93 Å) and four longer (2.94 Å) Er–Fe bond lengths. There are four shorter (2.90 Å) and two longer (2.91 Å) Er–B bond lengths. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to three equivalent Er and six Fe atoms. There are two shorter (2.47 Å) and four longer (2.48 Å) Fe–Fe bond lengths. In the second Fe site, Fe is bonded in a distorted L-shaped geometry to two equivalent Er, two equivalent Fe, and two equivalent B atoms. Both Fe–B bond lengths are 2.09 Å. In the third Fe site, Fe is bonded in a distorted L-shaped geometry to two equivalent Er, two equivalent Fe, and two equivalent B atoms. Both Fe–B bond lengths are 2.09more » Å. B is bonded in a 6-coordinate geometry to three equivalent Er and six Fe atoms.« less

Publication Date:
Other Number(s):
mp-3045
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; ErFe4B; B-Er-Fe
OSTI Identifier:
1204857
DOI:
10.17188/1204857

Citation Formats

The Materials Project. Materials Data on ErFe4B by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204857.
The Materials Project. Materials Data on ErFe4B by Materials Project. United States. doi:10.17188/1204857.
The Materials Project. 2020. "Materials Data on ErFe4B by Materials Project". United States. doi:10.17188/1204857. https://www.osti.gov/servlets/purl/1204857. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1204857,
title = {Materials Data on ErFe4B by Materials Project},
author = {The Materials Project},
abstractNote = {ErFe4B crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 6-coordinate geometry to six equivalent Fe atoms. There are two shorter (2.89 Å) and four longer (2.91 Å) Er–Fe bond lengths. In the second Er site, Er is bonded in a 8-coordinate geometry to twelve Fe and six equivalent B atoms. There are eight shorter (2.93 Å) and four longer (2.94 Å) Er–Fe bond lengths. There are four shorter (2.90 Å) and two longer (2.91 Å) Er–B bond lengths. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to three equivalent Er and six Fe atoms. There are two shorter (2.47 Å) and four longer (2.48 Å) Fe–Fe bond lengths. In the second Fe site, Fe is bonded in a distorted L-shaped geometry to two equivalent Er, two equivalent Fe, and two equivalent B atoms. Both Fe–B bond lengths are 2.09 Å. In the third Fe site, Fe is bonded in a distorted L-shaped geometry to two equivalent Er, two equivalent Fe, and two equivalent B atoms. Both Fe–B bond lengths are 2.09 Å. B is bonded in a 6-coordinate geometry to three equivalent Er and six Fe atoms.},
doi = {10.17188/1204857},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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