Materials Data on DyAl3 by Materials Project
Abstract
Al3Dy crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to twelve Al atoms to form DyAl12 cuboctahedra that share corners with six equivalent DyAl12 cuboctahedra, corners with twelve equivalent AlDy4Al8 cuboctahedra, edges with six equivalent AlDy4Al8 cuboctahedra, faces with six equivalent AlDy4Al8 cuboctahedra, and faces with eight DyAl12 cuboctahedra. There are six shorter (3.06 Å) and six longer (3.08 Å) Dy–Al bond lengths. In the second Dy site, Dy is bonded to twelve Al atoms to form DyAl12 cuboctahedra that share corners with twelve equivalent DyAl12 cuboctahedra, edges with twelve equivalent AlDy4Al8 cuboctahedra, faces with six equivalent DyAl12 cuboctahedra, and faces with six equivalent AlDy4Al8 cuboctahedra. There are six shorter (2.97 Å) and six longer (3.07 Å) Dy–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to four Dy and six Al atoms. There are two shorter (2.75 Å) and four longer (2.92 Å) Al–Al bond lengths. In the second Al site, Al is bonded to four Dy and eight Al atoms to form distorted AlDy4Al8 cuboctahedra that share corners withmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-569981
- 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; DyAl3; Al-Dy
- OSTI Identifier:
- 1275400
- DOI:
- https://doi.org/10.17188/1275400
Citation Formats
The Materials Project. Materials Data on DyAl3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1275400.
The Materials Project. Materials Data on DyAl3 by Materials Project. United States. doi:https://doi.org/10.17188/1275400
The Materials Project. 2020.
"Materials Data on DyAl3 by Materials Project". United States. doi:https://doi.org/10.17188/1275400. https://www.osti.gov/servlets/purl/1275400. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1275400,
title = {Materials Data on DyAl3 by Materials Project},
author = {The Materials Project},
abstractNote = {Al3Dy crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to twelve Al atoms to form DyAl12 cuboctahedra that share corners with six equivalent DyAl12 cuboctahedra, corners with twelve equivalent AlDy4Al8 cuboctahedra, edges with six equivalent AlDy4Al8 cuboctahedra, faces with six equivalent AlDy4Al8 cuboctahedra, and faces with eight DyAl12 cuboctahedra. There are six shorter (3.06 Å) and six longer (3.08 Å) Dy–Al bond lengths. In the second Dy site, Dy is bonded to twelve Al atoms to form DyAl12 cuboctahedra that share corners with twelve equivalent DyAl12 cuboctahedra, edges with twelve equivalent AlDy4Al8 cuboctahedra, faces with six equivalent DyAl12 cuboctahedra, and faces with six equivalent AlDy4Al8 cuboctahedra. There are six shorter (2.97 Å) and six longer (3.07 Å) Dy–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to four Dy and six Al atoms. There are two shorter (2.75 Å) and four longer (2.92 Å) Al–Al bond lengths. In the second Al site, Al is bonded to four Dy and eight Al atoms to form distorted AlDy4Al8 cuboctahedra that share corners with four equivalent DyAl12 cuboctahedra, corners with fourteen equivalent AlDy4Al8 cuboctahedra, edges with four equivalent AlDy4Al8 cuboctahedra, edges with six DyAl12 cuboctahedra, faces with four DyAl12 cuboctahedra, and faces with six equivalent AlDy4Al8 cuboctahedra. All Al–Al bond lengths are 3.06 Å.},
doi = {10.17188/1275400},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jul 17 00:00:00 EDT 2020},
month = {Fri Jul 17 00:00:00 EDT 2020}
}