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Title: Materials Data on YScFe4 by Materials Project

Abstract

YScFe4 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 Sc and twelve equivalent Fe atoms. All Y–Sc bond lengths are 3.08 Å. All Y–Fe bond lengths are 2.95 Å. Sc is bonded in a 12-coordinate geometry to four equivalent Y and twelve equivalent Fe atoms. All Sc–Fe bond lengths are 2.95 Å. Fe is bonded to three equivalent Y, three equivalent Sc, and six equivalent Fe atoms to form a mixture of corner, edge, and face-sharing FeY3Sc3Fe6 cuboctahedra. There are three shorter (2.51 Å) and three longer (2.53 Å) Fe–Fe bond lengths.

Publication Date:
Other Number(s):
mp-1215942
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; YScFe4; Fe-Sc-Y
OSTI Identifier:
1749444
DOI:
https://doi.org/10.17188/1749444

Citation Formats

The Materials Project. Materials Data on YScFe4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1749444.
The Materials Project. Materials Data on YScFe4 by Materials Project. United States. doi:https://doi.org/10.17188/1749444
The Materials Project. 2020. "Materials Data on YScFe4 by Materials Project". United States. doi:https://doi.org/10.17188/1749444. https://www.osti.gov/servlets/purl/1749444. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1749444,
title = {Materials Data on YScFe4 by Materials Project},
author = {The Materials Project},
abstractNote = {YScFe4 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 Sc and twelve equivalent Fe atoms. All Y–Sc bond lengths are 3.08 Å. All Y–Fe bond lengths are 2.95 Å. Sc is bonded in a 12-coordinate geometry to four equivalent Y and twelve equivalent Fe atoms. All Sc–Fe bond lengths are 2.95 Å. Fe is bonded to three equivalent Y, three equivalent Sc, and six equivalent Fe atoms to form a mixture of corner, edge, and face-sharing FeY3Sc3Fe6 cuboctahedra. There are three shorter (2.51 Å) and three longer (2.53 Å) Fe–Fe bond lengths.},
doi = {10.17188/1749444},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}