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Title: Materials Data on FeRe3 by Materials Project

Abstract

Re3Fe is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Re is bonded to eight equivalent Re and four equivalent Fe atoms to form ReFe4Re8 cuboctahedra that share corners with four equivalent FeRe12 cuboctahedra, corners with fourteen equivalent ReFe4Re8 cuboctahedra, edges with six equivalent FeRe12 cuboctahedra, edges with twelve equivalent ReFe4Re8 cuboctahedra, faces with four equivalent FeRe12 cuboctahedra, and faces with sixteen equivalent ReFe4Re8 cuboctahedra. There are a spread of Re–Re bond distances ranging from 2.70–2.74 Å. There are two shorter (2.69 Å) and two longer (2.72 Å) Re–Fe bond lengths. Fe is bonded to twelve equivalent Re atoms to form FeRe12 cuboctahedra that share corners with six equivalent FeRe12 cuboctahedra, corners with twelve equivalent ReFe4Re8 cuboctahedra, edges with eighteen equivalent ReFe4Re8 cuboctahedra, faces with eight equivalent FeRe12 cuboctahedra, and faces with twelve equivalent ReFe4Re8 cuboctahedra.

Authors:
Publication Date:
Other Number(s):
mp-1184298
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; FeRe3; Fe-Re
OSTI Identifier:
1684169
DOI:
https://doi.org/10.17188/1684169

Citation Formats

The Materials Project. Materials Data on FeRe3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1684169.
The Materials Project. Materials Data on FeRe3 by Materials Project. United States. doi:https://doi.org/10.17188/1684169
The Materials Project. 2020. "Materials Data on FeRe3 by Materials Project". United States. doi:https://doi.org/10.17188/1684169. https://www.osti.gov/servlets/purl/1684169. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1684169,
title = {Materials Data on FeRe3 by Materials Project},
author = {The Materials Project},
abstractNote = {Re3Fe is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Re is bonded to eight equivalent Re and four equivalent Fe atoms to form ReFe4Re8 cuboctahedra that share corners with four equivalent FeRe12 cuboctahedra, corners with fourteen equivalent ReFe4Re8 cuboctahedra, edges with six equivalent FeRe12 cuboctahedra, edges with twelve equivalent ReFe4Re8 cuboctahedra, faces with four equivalent FeRe12 cuboctahedra, and faces with sixteen equivalent ReFe4Re8 cuboctahedra. There are a spread of Re–Re bond distances ranging from 2.70–2.74 Å. There are two shorter (2.69 Å) and two longer (2.72 Å) Re–Fe bond lengths. Fe is bonded to twelve equivalent Re atoms to form FeRe12 cuboctahedra that share corners with six equivalent FeRe12 cuboctahedra, corners with twelve equivalent ReFe4Re8 cuboctahedra, edges with eighteen equivalent ReFe4Re8 cuboctahedra, faces with eight equivalent FeRe12 cuboctahedra, and faces with twelve equivalent ReFe4Re8 cuboctahedra.},
doi = {10.17188/1684169},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}