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Title: Materials Data on HfZrFe4 by Materials Project

Abstract

HfZrFe4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to four equivalent Zr and twelve equivalent Fe atoms. All Hf–Zr bond lengths are 3.04 Å. All Hf–Fe bond lengths are 2.91 Å. Zr is bonded in a 12-coordinate geometry to four equivalent Hf and twelve equivalent Fe atoms. All Zr–Fe bond lengths are 2.91 Å. Fe is bonded to three equivalent Hf, three equivalent Zr, and six equivalent Fe atoms to form a mixture of face, edge, and corner-sharing FeHf3Zr3Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.48 Å.

Authors:
Publication Date:
Other Number(s):
mp-1224188
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; HfZrFe4; Fe-Hf-Zr
OSTI Identifier:
1687997
DOI:
https://doi.org/10.17188/1687997

Citation Formats

The Materials Project. Materials Data on HfZrFe4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1687997.
The Materials Project. Materials Data on HfZrFe4 by Materials Project. United States. doi:https://doi.org/10.17188/1687997
The Materials Project. 2020. "Materials Data on HfZrFe4 by Materials Project". United States. doi:https://doi.org/10.17188/1687997. https://www.osti.gov/servlets/purl/1687997. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1687997,
title = {Materials Data on HfZrFe4 by Materials Project},
author = {The Materials Project},
abstractNote = {HfZrFe4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to four equivalent Zr and twelve equivalent Fe atoms. All Hf–Zr bond lengths are 3.04 Å. All Hf–Fe bond lengths are 2.91 Å. Zr is bonded in a 12-coordinate geometry to four equivalent Hf and twelve equivalent Fe atoms. All Zr–Fe bond lengths are 2.91 Å. Fe is bonded to three equivalent Hf, three equivalent Zr, and six equivalent Fe atoms to form a mixture of face, edge, and corner-sharing FeHf3Zr3Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.48 Å.},
doi = {10.17188/1687997},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}