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Title: 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; 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; FeCu3; Cu-Fe
OSTI Identifier:
1749468
DOI:
https://doi.org/10.17188/1749468

Citation Formats

The Materials Project. Materials Data on FeCu3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1749468.
The Materials Project. Materials Data on FeCu3 by Materials Project. United States. doi:https://doi.org/10.17188/1749468
The Materials Project. 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:Sat May 02 00:00:00 EDT 2020
@article{osti_1749468,
title = {Materials Data on FeCu3 by Materials Project},
author = {The 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}
}