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Title: Materials Data on Fe3Cu by Materials Project

Abstract

Fe3Cu is Tungsten-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted body-centered cubic geometry to six Fe and two equivalent Cu atoms. There are four shorter (2.47 Å) and two longer (2.48 Å) Fe–Fe bond lengths. Both Fe–Cu bond lengths are 2.52 Å. In the second Fe site, Fe is bonded in a distorted body-centered cubic geometry to eight Fe atoms. All Fe–Fe bond lengths are 2.47 Å. Cu is bonded in a distorted body-centered cubic geometry to four equivalent Fe and four equivalent Cu atoms. All Cu–Cu bond lengths are 2.47 Å.

Publication Date:
Other Number(s):
mp-1225131
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; Fe3Cu; Cu-Fe
OSTI Identifier:
1694801
DOI:
https://doi.org/10.17188/1694801

Citation Formats

The Materials Project. Materials Data on Fe3Cu by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1694801.
The Materials Project. Materials Data on Fe3Cu by Materials Project. United States. doi:https://doi.org/10.17188/1694801
The Materials Project. 2020. "Materials Data on Fe3Cu by Materials Project". United States. doi:https://doi.org/10.17188/1694801. https://www.osti.gov/servlets/purl/1694801. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1694801,
title = {Materials Data on Fe3Cu by Materials Project},
author = {The Materials Project},
abstractNote = {Fe3Cu is Tungsten-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted body-centered cubic geometry to six Fe and two equivalent Cu atoms. There are four shorter (2.47 Å) and two longer (2.48 Å) Fe–Fe bond lengths. Both Fe–Cu bond lengths are 2.52 Å. In the second Fe site, Fe is bonded in a distorted body-centered cubic geometry to eight Fe atoms. All Fe–Fe bond lengths are 2.47 Å. Cu is bonded in a distorted body-centered cubic geometry to four equivalent Fe and four equivalent Cu atoms. All Cu–Cu bond lengths are 2.47 Å.},
doi = {10.17188/1694801},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}