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Title: Materials Data on YbFeCu by Materials Project

Abstract

YbFeCu is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to six equivalent Fe and six equivalent Cu atoms. There are two shorter (3.02 Å) and four longer (3.06 Å) Yb–Fe bond lengths. There are four shorter (2.92 Å) and two longer (3.13 Å) Yb–Cu bond lengths. Fe is bonded to six equivalent Yb, two equivalent Fe, and four equivalent Cu atoms to form FeYb6Fe2Cu4 cuboctahedra that share corners with eight equivalent CuYb6Fe4Cu2 cuboctahedra, corners with ten equivalent FeYb6Fe2Cu4 cuboctahedra, edges with six equivalent FeYb6Fe2Cu4 cuboctahedra, faces with six equivalent FeYb6Fe2Cu4 cuboctahedra, and faces with twelve equivalent CuYb6Fe4Cu2 cuboctahedra. Both Fe–Fe bond lengths are 2.44 Å. All Fe–Cu bond lengths are 2.59 Å. Cu is bonded to six equivalent Yb, four equivalent Fe, and two equivalent Cu atoms to form CuYb6Fe4Cu2 cuboctahedra that share corners with eight equivalent FeYb6Fe2Cu4 cuboctahedra, corners with ten equivalent CuYb6Fe4Cu2 cuboctahedra, edges with six equivalent CuYb6Fe4Cu2 cuboctahedra, faces with six equivalent CuYb6Fe4Cu2 cuboctahedra, and faces with twelve equivalent FeYb6Fe2Cu4 cuboctahedra. Both Cu–Cu bond lengths are 2.63 Å.

Publication Date:
Other Number(s):
mp-1215618
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; YbFeCu; Cu-Fe-Yb
OSTI Identifier:
1759432
DOI:
https://doi.org/10.17188/1759432

Citation Formats

The Materials Project. Materials Data on YbFeCu by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1759432.
The Materials Project. Materials Data on YbFeCu by Materials Project. United States. doi:https://doi.org/10.17188/1759432
The Materials Project. 2020. "Materials Data on YbFeCu by Materials Project". United States. doi:https://doi.org/10.17188/1759432. https://www.osti.gov/servlets/purl/1759432. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1759432,
title = {Materials Data on YbFeCu by Materials Project},
author = {The Materials Project},
abstractNote = {YbFeCu is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to six equivalent Fe and six equivalent Cu atoms. There are two shorter (3.02 Å) and four longer (3.06 Å) Yb–Fe bond lengths. There are four shorter (2.92 Å) and two longer (3.13 Å) Yb–Cu bond lengths. Fe is bonded to six equivalent Yb, two equivalent Fe, and four equivalent Cu atoms to form FeYb6Fe2Cu4 cuboctahedra that share corners with eight equivalent CuYb6Fe4Cu2 cuboctahedra, corners with ten equivalent FeYb6Fe2Cu4 cuboctahedra, edges with six equivalent FeYb6Fe2Cu4 cuboctahedra, faces with six equivalent FeYb6Fe2Cu4 cuboctahedra, and faces with twelve equivalent CuYb6Fe4Cu2 cuboctahedra. Both Fe–Fe bond lengths are 2.44 Å. All Fe–Cu bond lengths are 2.59 Å. Cu is bonded to six equivalent Yb, four equivalent Fe, and two equivalent Cu atoms to form CuYb6Fe4Cu2 cuboctahedra that share corners with eight equivalent FeYb6Fe2Cu4 cuboctahedra, corners with ten equivalent CuYb6Fe4Cu2 cuboctahedra, edges with six equivalent CuYb6Fe4Cu2 cuboctahedra, faces with six equivalent CuYb6Fe4Cu2 cuboctahedra, and faces with twelve equivalent FeYb6Fe2Cu4 cuboctahedra. Both Cu–Cu bond lengths are 2.63 Å.},
doi = {10.17188/1759432},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}