U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on FeCu3 by Materials Project
Abstract
FeCu3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Fe is bonded to twelve equivalent Cu atoms to form FeCu12 cuboctahedra that share corners with six equivalent FeCu12 cuboctahedra, corners with twelve equivalent CuFe4Cu8 cuboctahedra, edges with eighteen equivalent CuFe4Cu8 cuboctahedra, faces with eight equivalent FeCu12 cuboctahedra, and faces with twelve equivalent CuFe4Cu8 cuboctahedra. There are six shorter (2.56 Å) and six longer (2.58 Å) Fe–Cu bond lengths. Cu is bonded to four equivalent Fe and eight equivalent Cu atoms to form CuFe4Cu8 cuboctahedra that share corners with four equivalent FeCu12 cuboctahedra, corners with fourteen equivalent CuFe4Cu8 cuboctahedra, edges with six equivalent FeCu12 cuboctahedra, edges with twelve equivalent CuFe4Cu8 cuboctahedra, faces with four equivalent FeCu12 cuboctahedra, and faces with sixteen equivalent CuFe4Cu8 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.56–2.59 Å.
- Publication Date:
- Other Number(s):
- mp-1184444
- DOE Contract Number:
- AC02-05CH11231;
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; crystal structure; Cu-Fe; FeCu3
- OSTI Identifier:
- 1749468
- DOI:
- https://doi.org/10.17188/1749468
Citation Formats
Materials Data on FeCu3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1749468.
Materials Data on FeCu3 by Materials Project. United States. doi:https://doi.org/10.17188/1749468
2020.
"Materials Data on FeCu3 by Materials Project". United States. doi:https://doi.org/10.17188/1749468. https://www.osti.gov/servlets/purl/1749468. Pub date:Fri May 01 20:00:00 EDT 2020
@article{osti_1749468,
title = {Materials Data on FeCu3 by Materials Project},
abstractNote = {FeCu3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Fe is bonded to twelve equivalent Cu atoms to form FeCu12 cuboctahedra that share corners with six equivalent FeCu12 cuboctahedra, corners with twelve equivalent CuFe4Cu8 cuboctahedra, edges with eighteen equivalent CuFe4Cu8 cuboctahedra, faces with eight equivalent FeCu12 cuboctahedra, and faces with twelve equivalent CuFe4Cu8 cuboctahedra. There are six shorter (2.56 Å) and six longer (2.58 Å) Fe–Cu bond lengths. Cu is bonded to four equivalent Fe and eight equivalent Cu atoms to form CuFe4Cu8 cuboctahedra that share corners with four equivalent FeCu12 cuboctahedra, corners with fourteen equivalent CuFe4Cu8 cuboctahedra, edges with six equivalent FeCu12 cuboctahedra, edges with twelve equivalent CuFe4Cu8 cuboctahedra, faces with four equivalent FeCu12 cuboctahedra, and faces with sixteen equivalent CuFe4Cu8 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.56–2.59 Å.},
doi = {10.17188/1749468},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}