U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ce(AlPd)2 by Materials Project
Abstract
CePd2Al2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to eight Pd and eight Al atoms. There are four shorter (3.28 Å) and four longer (3.38 Å) Ce–Pd bond lengths. There are four shorter (3.31 Å) and four longer (3.37 Å) Ce–Al bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to four equivalent Ce and five Al atoms. There are one shorter (2.51 Å) and four longer (2.56 Å) Pd–Al bond lengths. In the second Pd site, Pd is bonded to four equivalent Ce and four equivalent Al atoms to form distorted PdCe4Al4 tetrahedra that share corners with twelve equivalent AlCe4Pd4 tetrahedra, edges with two equivalent AlCe4Pd4 tetrahedra, edges with four equivalent PdCe4Al4 tetrahedra, and faces with four equivalent PdCe4Al4 tetrahedra. All Pd–Al bond lengths are 2.52 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 5-coordinate geometry to four equivalent Ce and five Pd atoms. In the second Al site, Al is bonded to four equivalent Ce and four equivalent Pd atoms to form distorted AlCe4Pd4 tetrahedra that sharemore »
- Publication Date:
- Other Number(s):
- mp-1078340
- 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-Ce-Pd; Ce(AlPd)2; crystal structure
- OSTI Identifier:
- 1717082
- DOI:
- https://doi.org/10.17188/1717082
Citation Formats
Materials Data on Ce(AlPd)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1717082.
Materials Data on Ce(AlPd)2 by Materials Project. United States. doi:https://doi.org/10.17188/1717082
2020.
"Materials Data on Ce(AlPd)2 by Materials Project". United States. doi:https://doi.org/10.17188/1717082. https://www.osti.gov/servlets/purl/1717082. Pub date:Tue May 05 00:00:00 EDT 2020
@article{osti_1717082,
title = {Materials Data on Ce(AlPd)2 by Materials Project},
abstractNote = {CePd2Al2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to eight Pd and eight Al atoms. There are four shorter (3.28 Å) and four longer (3.38 Å) Ce–Pd bond lengths. There are four shorter (3.31 Å) and four longer (3.37 Å) Ce–Al bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to four equivalent Ce and five Al atoms. There are one shorter (2.51 Å) and four longer (2.56 Å) Pd–Al bond lengths. In the second Pd site, Pd is bonded to four equivalent Ce and four equivalent Al atoms to form distorted PdCe4Al4 tetrahedra that share corners with twelve equivalent AlCe4Pd4 tetrahedra, edges with two equivalent AlCe4Pd4 tetrahedra, edges with four equivalent PdCe4Al4 tetrahedra, and faces with four equivalent PdCe4Al4 tetrahedra. All Pd–Al bond lengths are 2.52 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 5-coordinate geometry to four equivalent Ce and five Pd atoms. In the second Al site, Al is bonded to four equivalent Ce and four equivalent Pd atoms to form distorted AlCe4Pd4 tetrahedra that share corners with twelve equivalent PdCe4Al4 tetrahedra, edges with two equivalent PdCe4Al4 tetrahedra, edges with four equivalent AlCe4Pd4 tetrahedra, and faces with four equivalent AlCe4Pd4 tetrahedra.},
doi = {10.17188/1717082},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}