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Title: Materials Data on DyCu5 by Materials Project

Abstract

DyCu5 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to sixteen Cu atoms. There are twelve shorter (2.91 Å) and four longer (3.04 Å) Dy–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to four equivalent Dy and twelve equivalent Cu atoms to form distorted CuDy4Cu12 tetrahedra that share corners with twelve equivalent CuDy3Cu9 cuboctahedra, faces with twenty-eight equivalent CuDy3Cu9 cuboctahedra, and faces with twelve equivalent CuDy4Cu12 tetrahedra. All Cu–Cu bond lengths are 2.91 Å. In the second Cu site, Cu is bonded to three equivalent Dy and nine Cu atoms to form distorted CuDy3Cu9 cuboctahedra that share corners with eighteen equivalent CuDy3Cu9 cuboctahedra, corners with three equivalent CuDy4Cu12 tetrahedra, edges with six equivalent CuDy3Cu9 cuboctahedra, faces with eighteen equivalent CuDy3Cu9 cuboctahedra, and faces with seven equivalent CuDy4Cu12 tetrahedra. There are three shorter (2.46 Å) and three longer (2.51 Å) Cu–Cu bond lengths.

Authors:
Publication Date:
Other Number(s):
mp-30578
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; DyCu5; Cu-Dy
OSTI Identifier:
1204966
DOI:
https://doi.org/10.17188/1204966

Citation Formats

The Materials Project. Materials Data on DyCu5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204966.
The Materials Project. Materials Data on DyCu5 by Materials Project. United States. doi:https://doi.org/10.17188/1204966
The Materials Project. 2020. "Materials Data on DyCu5 by Materials Project". United States. doi:https://doi.org/10.17188/1204966. https://www.osti.gov/servlets/purl/1204966. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1204966,
title = {Materials Data on DyCu5 by Materials Project},
author = {The Materials Project},
abstractNote = {DyCu5 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to sixteen Cu atoms. There are twelve shorter (2.91 Å) and four longer (3.04 Å) Dy–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to four equivalent Dy and twelve equivalent Cu atoms to form distorted CuDy4Cu12 tetrahedra that share corners with twelve equivalent CuDy3Cu9 cuboctahedra, faces with twenty-eight equivalent CuDy3Cu9 cuboctahedra, and faces with twelve equivalent CuDy4Cu12 tetrahedra. All Cu–Cu bond lengths are 2.91 Å. In the second Cu site, Cu is bonded to three equivalent Dy and nine Cu atoms to form distorted CuDy3Cu9 cuboctahedra that share corners with eighteen equivalent CuDy3Cu9 cuboctahedra, corners with three equivalent CuDy4Cu12 tetrahedra, edges with six equivalent CuDy3Cu9 cuboctahedra, faces with eighteen equivalent CuDy3Cu9 cuboctahedra, and faces with seven equivalent CuDy4Cu12 tetrahedra. There are three shorter (2.46 Å) and three longer (2.51 Å) Cu–Cu bond lengths.},
doi = {10.17188/1204966},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}