U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Dy6Al7Cu16 by Materials Project
Abstract
Dy6Cu16Al7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to eight Cu and four equivalent Al atoms. There are four shorter (2.93 Å) and four longer (3.05 Å) Dy–Cu bond lengths. All Dy–Al bond lengths are 3.11 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 7-coordinate geometry to three equivalent Dy, three equivalent Cu, and four Al atoms. All Cu–Cu bond lengths are 2.68 Å. There are one shorter (2.59 Å) and three longer (2.69 Å) Cu–Al bond lengths. In the second Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Dy, six Cu, and three equivalent Al atoms. All Cu–Cu bond lengths are 2.67 Å. All Cu–Al bond lengths are 2.51 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a body-centered cubic geometry to eight equivalent Cu atoms. In the second Al site, Al is bonded to four equivalent Dy and eight Cu atoms to form a mixture of distorted corner and face-sharing AlDy4Cu8 cuboctahedra.
- Publication Date:
- Other Number(s):
- mp-1194170
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Al-Cu-Dy; Dy6Al7Cu16; crystal structure
- OSTI Identifier:
- 1681543
- DOI:
- https://doi.org/10.17188/1681543
Citation Formats
Materials Data on Dy6Al7Cu16 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1681543.
Materials Data on Dy6Al7Cu16 by Materials Project. United States. doi:https://doi.org/10.17188/1681543
2020.
"Materials Data on Dy6Al7Cu16 by Materials Project". United States. doi:https://doi.org/10.17188/1681543. https://www.osti.gov/servlets/purl/1681543. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1681543,
title = {Materials Data on Dy6Al7Cu16 by Materials Project},
abstractNote = {Dy6Cu16Al7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to eight Cu and four equivalent Al atoms. There are four shorter (2.93 Å) and four longer (3.05 Å) Dy–Cu bond lengths. All Dy–Al bond lengths are 3.11 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 7-coordinate geometry to three equivalent Dy, three equivalent Cu, and four Al atoms. All Cu–Cu bond lengths are 2.68 Å. There are one shorter (2.59 Å) and three longer (2.69 Å) Cu–Al bond lengths. In the second Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Dy, six Cu, and three equivalent Al atoms. All Cu–Cu bond lengths are 2.67 Å. All Cu–Al bond lengths are 2.51 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a body-centered cubic geometry to eight equivalent Cu atoms. In the second Al site, Al is bonded to four equivalent Dy and eight Cu atoms to form a mixture of distorted corner and face-sharing AlDy4Cu8 cuboctahedra.},
doi = {10.17188/1681543},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}