U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ErFeCu by Materials Project
Abstract
ErFeCu 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 Cu atoms. There are four shorter (2.99 Å) and two longer (3.07 Å) Er–Fe bond lengths. There are four shorter (2.96 Å) and two longer (3.10 Å) Er–Cu bond lengths. Fe is bonded to six equivalent Er, two equivalent Fe, and four equivalent Cu atoms to form FeEr6Fe2Cu4 cuboctahedra that share corners with eight equivalent CuEr6Fe4Cu2 cuboctahedra, corners with ten equivalent FeEr6Fe2Cu4 cuboctahedra, edges with six equivalent FeEr6Fe2Cu4 cuboctahedra, faces with six equivalent FeEr6Fe2Cu4 cuboctahedra, and faces with twelve equivalent CuEr6Fe4Cu2 cuboctahedra. Both Fe–Fe bond lengths are 2.52 Å. All Fe–Cu bond lengths are 2.59 Å. Cu is bonded to six equivalent Er, four equivalent Fe, and two equivalent Cu atoms to form CuEr6Fe4Cu2 cuboctahedra that share corners with eight equivalent FeEr6Fe2Cu4 cuboctahedra, corners with ten equivalent CuEr6Fe4Cu2 cuboctahedra, edges with six equivalent CuEr6Fe4Cu2 cuboctahedra, faces with six equivalent CuEr6Fe4Cu2 cuboctahedra, and faces with twelve equivalent FeEr6Fe2Cu4 cuboctahedra. Both Cu–Cu bond lengths are 2.54 Å.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1225569
- 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; ErFeCu; Cu-Er-Fe
- OSTI Identifier:
- 1674595
- DOI:
- https://doi.org/10.17188/1674595
Citation Formats
The Materials Project. Materials Data on ErFeCu by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1674595.
The Materials Project. Materials Data on ErFeCu by Materials Project. United States. doi:https://doi.org/10.17188/1674595
The Materials Project. 2020.
"Materials Data on ErFeCu by Materials Project". United States. doi:https://doi.org/10.17188/1674595. https://www.osti.gov/servlets/purl/1674595. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1674595,
title = {Materials Data on ErFeCu by Materials Project},
author = {The Materials Project},
abstractNote = {ErFeCu 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 Cu atoms. There are four shorter (2.99 Å) and two longer (3.07 Å) Er–Fe bond lengths. There are four shorter (2.96 Å) and two longer (3.10 Å) Er–Cu bond lengths. Fe is bonded to six equivalent Er, two equivalent Fe, and four equivalent Cu atoms to form FeEr6Fe2Cu4 cuboctahedra that share corners with eight equivalent CuEr6Fe4Cu2 cuboctahedra, corners with ten equivalent FeEr6Fe2Cu4 cuboctahedra, edges with six equivalent FeEr6Fe2Cu4 cuboctahedra, faces with six equivalent FeEr6Fe2Cu4 cuboctahedra, and faces with twelve equivalent CuEr6Fe4Cu2 cuboctahedra. Both Fe–Fe bond lengths are 2.52 Å. All Fe–Cu bond lengths are 2.59 Å. Cu is bonded to six equivalent Er, four equivalent Fe, and two equivalent Cu atoms to form CuEr6Fe4Cu2 cuboctahedra that share corners with eight equivalent FeEr6Fe2Cu4 cuboctahedra, corners with ten equivalent CuEr6Fe4Cu2 cuboctahedra, edges with six equivalent CuEr6Fe4Cu2 cuboctahedra, faces with six equivalent CuEr6Fe4Cu2 cuboctahedra, and faces with twelve equivalent FeEr6Fe2Cu4 cuboctahedra. Both Cu–Cu bond lengths are 2.54 Å.},
doi = {10.17188/1674595},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}