U.S. Department of EnergyOffice of Scientific and Technical Information
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 »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1225316
- 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; 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}
}