U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on DyAl3 by Materials Project
Abstract
Al3Dy is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Dy is bonded to twelve Al atoms to form DyAl12 cuboctahedra that share corners with four equivalent DyAl12 cuboctahedra, edges with eight equivalent DyAl12 cuboctahedra, edges with sixteen equivalent AlDy4Al8 cuboctahedra, faces with four equivalent DyAl12 cuboctahedra, and faces with eight equivalent AlDy4Al8 cuboctahedra. There are four shorter (2.96 Å) and eight longer (3.11 Å) Dy–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a square co-planar geometry to four equivalent Dy and eight equivalent Al atoms. All Al–Al bond lengths are 3.11 Å. In the second Al site, Al is bonded to four equivalent Dy and eight Al atoms to form distorted AlDy4Al8 cuboctahedra that share corners with twelve equivalent AlDy4Al8 cuboctahedra, edges with eight equivalent DyAl12 cuboctahedra, edges with eight equivalent AlDy4Al8 cuboctahedra, faces with four equivalent DyAl12 cuboctahedra, and faces with ten equivalent AlDy4Al8 cuboctahedra. All Al–Al bond lengths are 2.96 Å.
- Publication Date:
- Other Number(s):
- mp-31178
- 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-Dy; DyAl3; crystal structure
- OSTI Identifier:
- 1205482
- DOI:
- https://doi.org/10.17188/1205482
Citation Formats
Materials Data on DyAl3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1205482.
Materials Data on DyAl3 by Materials Project. United States. doi:https://doi.org/10.17188/1205482
2020.
"Materials Data on DyAl3 by Materials Project". United States. doi:https://doi.org/10.17188/1205482. https://www.osti.gov/servlets/purl/1205482. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1205482,
title = {Materials Data on DyAl3 by Materials Project},
abstractNote = {Al3Dy is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Dy is bonded to twelve Al atoms to form DyAl12 cuboctahedra that share corners with four equivalent DyAl12 cuboctahedra, edges with eight equivalent DyAl12 cuboctahedra, edges with sixteen equivalent AlDy4Al8 cuboctahedra, faces with four equivalent DyAl12 cuboctahedra, and faces with eight equivalent AlDy4Al8 cuboctahedra. There are four shorter (2.96 Å) and eight longer (3.11 Å) Dy–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a square co-planar geometry to four equivalent Dy and eight equivalent Al atoms. All Al–Al bond lengths are 3.11 Å. In the second Al site, Al is bonded to four equivalent Dy and eight Al atoms to form distorted AlDy4Al8 cuboctahedra that share corners with twelve equivalent AlDy4Al8 cuboctahedra, edges with eight equivalent DyAl12 cuboctahedra, edges with eight equivalent AlDy4Al8 cuboctahedra, faces with four equivalent DyAl12 cuboctahedra, and faces with ten equivalent AlDy4Al8 cuboctahedra. All Al–Al bond lengths are 2.96 Å.},
doi = {10.17188/1205482},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}