Materials Data on DyAlCu by Materials Project

Dataset · Wed Jul 15 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1653465· OSTI ID:1653465

DyCuAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Dy is bonded in a 5-coordinate geometry to five Cu and six equivalent Al atoms. There are one shorter (2.91 Å) and four longer (2.93 Å) Dy–Cu bond lengths. There are two shorter (3.19 Å) and four longer (3.24 Å) Dy–Al bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent Al atoms. All Cu–Al bond lengths are 2.62 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent Al atoms. All Cu–Al bond lengths are 2.75 Å. Al is bonded in a 12-coordinate geometry to six equivalent Dy, four Cu, and two equivalent Al atoms. Both Al–Al bond lengths are 2.87 Å.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1653465
• Report Number(s): mp-1078857
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Al-Cu-Dy
DyAlCu
crystal structure