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Title: Materials Data on DyAlCu4 by Materials Project

Abstract

DyCu4Al crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Dy is bonded in a 6-coordinate geometry to fifteen Cu and three equivalent Al atoms. There are three shorter (2.98 Å) and twelve longer (3.28 Å) Dy–Cu bond lengths. All Dy–Al bond lengths are 2.98 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to three equivalent Dy, six equivalent Cu, and three equivalent Al atoms to form CuDy3Al3Cu6 cuboctahedra that share corners with nine equivalent AlDy3Cu9 cuboctahedra, corners with twelve equivalent CuDy4Al2Cu6 cuboctahedra, edges with six equivalent CuDy3Al3Cu6 cuboctahedra, faces with three equivalent AlDy3Cu9 cuboctahedra, and faces with twenty CuDy3Al3Cu6 cuboctahedra. All Cu–Cu bond lengths are 2.51 Å. All Cu–Al bond lengths are 2.98 Å. In the second Cu site, Cu is bonded to four equivalent Dy, six Cu, and two equivalent Al atoms to form distorted CuDy4Al2Cu6 cuboctahedra that share corners with four equivalent AlDy3Cu9 cuboctahedra, corners with twenty CuDy3Al3Cu6 cuboctahedra, edges with ten equivalent CuDy4Al2Cu6 cuboctahedra, faces with six equivalent AlDy3Cu9 cuboctahedra, and faces with sixteen CuDy3Al3Cu6 cuboctahedra. There are two shorter (2.57 Å) and two longer (2.59 Å) Cu–Cu bond lengths. Both Cu–Al bond lengths are 2.52 Å.more » Al is bonded to three equivalent Dy and nine Cu atoms to form distorted AlDy3Cu9 cuboctahedra that share corners with twenty-one CuDy3Al3Cu6 cuboctahedra, edges with six equivalent AlDy3Cu9 cuboctahedra, faces with two equivalent AlDy3Cu9 cuboctahedra, and faces with twenty-one CuDy3Al3Cu6 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-1225316
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; DyAlCu4; Al-Cu-Dy
OSTI Identifier:
1726841
DOI:
https://doi.org/10.17188/1726841

Citation Formats

The Materials Project. Materials Data on DyAlCu4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1726841.
The Materials Project. Materials Data on DyAlCu4 by Materials Project. United States. doi:https://doi.org/10.17188/1726841
The Materials Project. 2020. "Materials Data on DyAlCu4 by Materials Project". United States. doi:https://doi.org/10.17188/1726841. https://www.osti.gov/servlets/purl/1726841. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1726841,
title = {Materials Data on DyAlCu4 by Materials Project},
author = {The Materials Project},
abstractNote = {DyCu4Al crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Dy is bonded in a 6-coordinate geometry to fifteen Cu and three equivalent Al atoms. There are three shorter (2.98 Å) and twelve longer (3.28 Å) Dy–Cu bond lengths. All Dy–Al bond lengths are 2.98 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to three equivalent Dy, six equivalent Cu, and three equivalent Al atoms to form CuDy3Al3Cu6 cuboctahedra that share corners with nine equivalent AlDy3Cu9 cuboctahedra, corners with twelve equivalent CuDy4Al2Cu6 cuboctahedra, edges with six equivalent CuDy3Al3Cu6 cuboctahedra, faces with three equivalent AlDy3Cu9 cuboctahedra, and faces with twenty CuDy3Al3Cu6 cuboctahedra. All Cu–Cu bond lengths are 2.51 Å. All Cu–Al bond lengths are 2.98 Å. In the second Cu site, Cu is bonded to four equivalent Dy, six Cu, and two equivalent Al atoms to form distorted CuDy4Al2Cu6 cuboctahedra that share corners with four equivalent AlDy3Cu9 cuboctahedra, corners with twenty CuDy3Al3Cu6 cuboctahedra, edges with ten equivalent CuDy4Al2Cu6 cuboctahedra, faces with six equivalent AlDy3Cu9 cuboctahedra, and faces with sixteen CuDy3Al3Cu6 cuboctahedra. There are two shorter (2.57 Å) and two longer (2.59 Å) Cu–Cu bond lengths. Both Cu–Al bond lengths are 2.52 Å. Al is bonded to three equivalent Dy and nine Cu atoms to form distorted AlDy3Cu9 cuboctahedra that share corners with twenty-one CuDy3Al3Cu6 cuboctahedra, edges with six equivalent AlDy3Cu9 cuboctahedra, faces with two equivalent AlDy3Cu9 cuboctahedra, and faces with twenty-one CuDy3Al3Cu6 cuboctahedra.},
doi = {10.17188/1726841},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}