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Title: Materials Data on ErFeNi by Materials Project

Abstract

ErFeNi is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to six equivalent Fe and six equivalent Ni atoms. There are two shorter (2.98 Å) and four longer (3.01 Å) Er–Fe bond lengths. There are four shorter (2.90 Å) and two longer (3.05 Å) Er–Ni bond lengths. Fe is bonded to six equivalent Er, two equivalent Fe, and four equivalent Ni atoms to form FeEr6Fe2Ni4 cuboctahedra that share corners with eight equivalent NiEr6Fe4Ni2 cuboctahedra, corners with ten equivalent FeEr6Fe2Ni4 cuboctahedra, edges with six equivalent FeEr6Fe2Ni4 cuboctahedra, faces with six equivalent FeEr6Fe2Ni4 cuboctahedra, and faces with twelve equivalent NiEr6Fe4Ni2 cuboctahedra. Both Fe–Fe bond lengths are 2.44 Å. All Fe–Ni bond lengths are 2.55 Å. Ni is bonded to six equivalent Er, four equivalent Fe, and two equivalent Ni atoms to form NiEr6Fe4Ni2 cuboctahedra that share corners with eight equivalent FeEr6Fe2Ni4 cuboctahedra, corners with ten equivalent NiEr6Fe4Ni2 cuboctahedra, edges with six equivalent NiEr6Fe4Ni2 cuboctahedra, faces with six equivalent NiEr6Fe4Ni2 cuboctahedra, and faces with twelve equivalent FeEr6Fe2Ni4 cuboctahedra. Both Ni–Ni bond lengths are 2.58 Å.

Authors:
Publication Date:
Other Number(s):
mp-1225564
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; ErFeNi; Er-Fe-Ni
OSTI Identifier:
1753573
DOI:
https://doi.org/10.17188/1753573

Citation Formats

The Materials Project. Materials Data on ErFeNi by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753573.
The Materials Project. Materials Data on ErFeNi by Materials Project. United States. doi:https://doi.org/10.17188/1753573
The Materials Project. 2020. "Materials Data on ErFeNi by Materials Project". United States. doi:https://doi.org/10.17188/1753573. https://www.osti.gov/servlets/purl/1753573. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1753573,
title = {Materials Data on ErFeNi by Materials Project},
author = {The Materials Project},
abstractNote = {ErFeNi is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to six equivalent Fe and six equivalent Ni atoms. There are two shorter (2.98 Å) and four longer (3.01 Å) Er–Fe bond lengths. There are four shorter (2.90 Å) and two longer (3.05 Å) Er–Ni bond lengths. Fe is bonded to six equivalent Er, two equivalent Fe, and four equivalent Ni atoms to form FeEr6Fe2Ni4 cuboctahedra that share corners with eight equivalent NiEr6Fe4Ni2 cuboctahedra, corners with ten equivalent FeEr6Fe2Ni4 cuboctahedra, edges with six equivalent FeEr6Fe2Ni4 cuboctahedra, faces with six equivalent FeEr6Fe2Ni4 cuboctahedra, and faces with twelve equivalent NiEr6Fe4Ni2 cuboctahedra. Both Fe–Fe bond lengths are 2.44 Å. All Fe–Ni bond lengths are 2.55 Å. Ni is bonded to six equivalent Er, four equivalent Fe, and two equivalent Ni atoms to form NiEr6Fe4Ni2 cuboctahedra that share corners with eight equivalent FeEr6Fe2Ni4 cuboctahedra, corners with ten equivalent NiEr6Fe4Ni2 cuboctahedra, edges with six equivalent NiEr6Fe4Ni2 cuboctahedra, faces with six equivalent NiEr6Fe4Ni2 cuboctahedra, and faces with twelve equivalent FeEr6Fe2Ni4 cuboctahedra. Both Ni–Ni bond lengths are 2.58 Å.},
doi = {10.17188/1753573},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}