U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Dy2Al6Si4Pt by Materials Project
Abstract
Dy2PtAl6Si4 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Dy is bonded to six Si atoms to form DySi6 octahedra that share corners with twelve AlSiPt3 tetrahedra, edges with six equivalent DySi6 octahedra, and edges with six AlSi4 tetrahedra. There are three shorter (2.94 Å) and three longer (2.97 Å) Dy–Si bond lengths. Pt is bonded in a body-centered cubic geometry to eight Al atoms. There are six shorter (2.54 Å) and two longer (2.55 Å) Pt–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded to one Pt and three equivalent Si atoms to form AlSi3Pt tetrahedra that share corners with three equivalent DySi6 octahedra, corners with ten AlSiPt3 tetrahedra, edges with three equivalent DySi6 octahedra, and edges with three equivalent AlSiPt3 tetrahedra. The corner-sharing octahedral tilt angles are 15°. All Al–Si bond lengths are 2.56 Å. In the second Al site, Al is bonded to three equivalent Pt and one Si atom to form distorted AlSiPt3 tetrahedra that share corners with three equivalent DySi6 octahedra, corners with twelve AlSiPt3 tetrahedra, and edges with six AlSiPt3 tetrahedra. The corner-sharing octahedral tilt angles are 55°. The Al–Si bond length ismore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-11630
- 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; Dy2Al6Si4Pt; Al-Dy-Pt-Si
- OSTI Identifier:
- 1188116
- DOI:
- https://doi.org/10.17188/1188116
Citation Formats
The Materials Project. Materials Data on Dy2Al6Si4Pt by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1188116.
The Materials Project. Materials Data on Dy2Al6Si4Pt by Materials Project. United States. doi:https://doi.org/10.17188/1188116
The Materials Project. 2017.
"Materials Data on Dy2Al6Si4Pt by Materials Project". United States. doi:https://doi.org/10.17188/1188116. https://www.osti.gov/servlets/purl/1188116. Pub date:Thu May 11 00:00:00 EDT 2017
@article{osti_1188116,
title = {Materials Data on Dy2Al6Si4Pt by Materials Project},
author = {The Materials Project},
abstractNote = {Dy2PtAl6Si4 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Dy is bonded to six Si atoms to form DySi6 octahedra that share corners with twelve AlSiPt3 tetrahedra, edges with six equivalent DySi6 octahedra, and edges with six AlSi4 tetrahedra. There are three shorter (2.94 Å) and three longer (2.97 Å) Dy–Si bond lengths. Pt is bonded in a body-centered cubic geometry to eight Al atoms. There are six shorter (2.54 Å) and two longer (2.55 Å) Pt–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded to one Pt and three equivalent Si atoms to form AlSi3Pt tetrahedra that share corners with three equivalent DySi6 octahedra, corners with ten AlSiPt3 tetrahedra, edges with three equivalent DySi6 octahedra, and edges with three equivalent AlSiPt3 tetrahedra. The corner-sharing octahedral tilt angles are 15°. All Al–Si bond lengths are 2.56 Å. In the second Al site, Al is bonded to three equivalent Pt and one Si atom to form distorted AlSiPt3 tetrahedra that share corners with three equivalent DySi6 octahedra, corners with twelve AlSiPt3 tetrahedra, and edges with six AlSiPt3 tetrahedra. The corner-sharing octahedral tilt angles are 55°. The Al–Si bond length is 2.62 Å. In the third Al site, Al is bonded to four equivalent Si atoms to form distorted AlSi4 tetrahedra that share corners with six equivalent DySi6 octahedra, corners with six equivalent AlSi4 tetrahedra, edges with three equivalent DySi6 octahedra, and edges with three equivalent AlSi4 tetrahedra. The corner-sharing octahedra tilt angles range from 20–54°. There are three shorter (2.50 Å) and one longer (2.54 Å) Al–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded to three equivalent Dy and four Al atoms to form a mixture of distorted edge and corner-sharing SiDy3Al4 pentagonal bipyramids. In the second Si site, Si is bonded to three equivalent Dy and four equivalent Al atoms to form a mixture of distorted edge and corner-sharing SiDy3Al4 pentagonal bipyramids.},
doi = {10.17188/1188116},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu May 11 00:00:00 EDT 2017},
month = {Thu May 11 00:00:00 EDT 2017}
}