DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on YZrFe4 by Materials Project

Abstract

YZrFe4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to four equivalent Zr and twelve equivalent Fe atoms. All Y–Zr bond lengths are 3.12 Å. All Y–Fe bond lengths are 2.99 Å. Zr is bonded in a 12-coordinate geometry to four equivalent Y and twelve equivalent Fe atoms. All Zr–Fe bond lengths are 2.98 Å. Fe is bonded to three equivalent Y, three equivalent Zr, and six equivalent Fe atoms to form a mixture of face, edge, and corner-sharing FeY3Zr3Fe6 cuboctahedra. There are three shorter (2.54 Å) and three longer (2.55 Å) Fe–Fe bond lengths.

Authors:
Publication Date:
Other Number(s):
mp-1215709
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; YZrFe4; Fe-Y-Zr
OSTI Identifier:
1758473
DOI:
https://doi.org/10.17188/1758473

Citation Formats

The Materials Project. Materials Data on YZrFe4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758473.
The Materials Project. Materials Data on YZrFe4 by Materials Project. United States. doi:https://doi.org/10.17188/1758473
The Materials Project. 2020. "Materials Data on YZrFe4 by Materials Project". United States. doi:https://doi.org/10.17188/1758473. https://www.osti.gov/servlets/purl/1758473. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758473,
title = {Materials Data on YZrFe4 by Materials Project},
author = {The Materials Project},
abstractNote = {YZrFe4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to four equivalent Zr and twelve equivalent Fe atoms. All Y–Zr bond lengths are 3.12 Å. All Y–Fe bond lengths are 2.99 Å. Zr is bonded in a 12-coordinate geometry to four equivalent Y and twelve equivalent Fe atoms. All Zr–Fe bond lengths are 2.98 Å. Fe is bonded to three equivalent Y, three equivalent Zr, and six equivalent Fe atoms to form a mixture of face, edge, and corner-sharing FeY3Zr3Fe6 cuboctahedra. There are three shorter (2.54 Å) and three longer (2.55 Å) Fe–Fe bond lengths.},
doi = {10.17188/1758473},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}