Materials Data on Dy6Al43W4 by Materials Project
Abstract
Dy6W4Al43 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Dy is bonded in a 6-coordinate geometry to one Dy, one W, and fifteen Al atoms. The Dy–Dy bond length is 3.44 Å. The Dy–W bond length is 3.49 Å. There are a spread of Dy–Al bond distances ranging from 3.06–3.44 Å. There are two inequivalent W sites. In the first W site, W is bonded in a distorted q6 geometry to two equivalent Dy and ten Al atoms. There are a spread of W–Al bond distances ranging from 2.60–2.73 Å. In the second W site, W is bonded in a cuboctahedral geometry to twelve Al atoms. There are six shorter (2.68 Å) and six longer (2.86 Å) W–Al bond lengths. There are seven inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to one Dy, two W, and three equivalent Al atoms. There are one shorter (2.77 Å) and two longer (2.87 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 12-coordinate geometry to four equivalent Dy and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.75–3.06 Å. In the thirdmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1200455
- 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; Dy6Al43W4; Al-Dy-W
- OSTI Identifier:
- 1722182
- DOI:
- https://doi.org/10.17188/1722182
Citation Formats
The Materials Project. Materials Data on Dy6Al43W4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1722182.
The Materials Project. Materials Data on Dy6Al43W4 by Materials Project. United States. doi:https://doi.org/10.17188/1722182
The Materials Project. 2020.
"Materials Data on Dy6Al43W4 by Materials Project". United States. doi:https://doi.org/10.17188/1722182. https://www.osti.gov/servlets/purl/1722182. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1722182,
title = {Materials Data on Dy6Al43W4 by Materials Project},
author = {The Materials Project},
abstractNote = {Dy6W4Al43 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Dy is bonded in a 6-coordinate geometry to one Dy, one W, and fifteen Al atoms. The Dy–Dy bond length is 3.44 Å. The Dy–W bond length is 3.49 Å. There are a spread of Dy–Al bond distances ranging from 3.06–3.44 Å. There are two inequivalent W sites. In the first W site, W is bonded in a distorted q6 geometry to two equivalent Dy and ten Al atoms. There are a spread of W–Al bond distances ranging from 2.60–2.73 Å. In the second W site, W is bonded in a cuboctahedral geometry to twelve Al atoms. There are six shorter (2.68 Å) and six longer (2.86 Å) W–Al bond lengths. There are seven inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to one Dy, two W, and three equivalent Al atoms. There are one shorter (2.77 Å) and two longer (2.87 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 12-coordinate geometry to four equivalent Dy and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.75–3.06 Å. In the third Al site, Al is bonded in a 1-coordinate geometry to two equivalent Dy, one W, and three Al atoms. There are one shorter (2.72 Å) and one longer (2.87 Å) Al–Al bond lengths. In the fourth Al site, Al is bonded in a distorted linear geometry to two equivalent W atoms. In the fifth Al site, Al is bonded in a 1-coordinate geometry to two equivalent Dy, one W, and nine Al atoms. Both Al–Al bond lengths are 3.01 Å. In the sixth Al site, Al is bonded to three equivalent Dy and nine Al atoms to form a mixture of face and corner-sharing AlDy3Al9 cuboctahedra. All Al–Al bond lengths are 2.83 Å. In the seventh Al site, Al is bonded in a 1-coordinate geometry to two equivalent Dy, one W, and two equivalent Al atoms.},
doi = {10.17188/1722182},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}