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Title: Materials Data on ZrScFe4 by Materials Project

Abstract

ScZrFe4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to four equivalent Zr and twelve equivalent Fe atoms. All Sc–Zr bond lengths are 3.04 Å. All Sc–Fe bond lengths are 2.91 Å. Zr is bonded in a 12-coordinate geometry to four equivalent Sc and twelve equivalent Fe atoms. All Zr–Fe bond lengths are 2.91 Å. Fe is bonded to three equivalent Sc, three equivalent Zr, and six equivalent Fe atoms to form a mixture of corner, edge, and face-sharing FeZr3Sc3Fe6 cuboctahedra. There are three shorter (2.48 Å) and three longer (2.49 Å) Fe–Fe bond lengths.

Publication Date:
Other Number(s):
mp-1215207
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; ZrScFe4; Fe-Sc-Zr
OSTI Identifier:
1746788
DOI:
https://doi.org/10.17188/1746788

Citation Formats

The Materials Project. Materials Data on ZrScFe4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1746788.
The Materials Project. Materials Data on ZrScFe4 by Materials Project. United States. doi:https://doi.org/10.17188/1746788
The Materials Project. 2020. "Materials Data on ZrScFe4 by Materials Project". United States. doi:https://doi.org/10.17188/1746788. https://www.osti.gov/servlets/purl/1746788. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1746788,
title = {Materials Data on ZrScFe4 by Materials Project},
author = {The Materials Project},
abstractNote = {ScZrFe4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to four equivalent Zr and twelve equivalent Fe atoms. All Sc–Zr bond lengths are 3.04 Å. All Sc–Fe bond lengths are 2.91 Å. Zr is bonded in a 12-coordinate geometry to four equivalent Sc and twelve equivalent Fe atoms. All Zr–Fe bond lengths are 2.91 Å. Fe is bonded to three equivalent Sc, three equivalent Zr, and six equivalent Fe atoms to form a mixture of corner, edge, and face-sharing FeZr3Sc3Fe6 cuboctahedra. There are three shorter (2.48 Å) and three longer (2.49 Å) Fe–Fe bond lengths.},
doi = {10.17188/1746788},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}