U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ce3SiPd5 by Materials Project
Abstract
Ce3Pd5Si crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 11-coordinate geometry to ten Pd and one Si atom. There are a spread of Ce–Pd bond distances ranging from 2.97–3.22 Å. The Ce–Si bond length is 3.19 Å. In the second Ce site, Ce is bonded in a 5-coordinate geometry to ten Pd and one Si atom. There are a spread of Ce–Pd bond distances ranging from 2.94–3.43 Å. The Ce–Si bond length is 3.03 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 11-coordinate geometry to six Ce, four Pd, and one Si atom. There are a spread of Pd–Pd bond distances ranging from 2.91–3.05 Å. The Pd–Si bond length is 2.51 Å. In the second Pd site, Pd is bonded in a 2-coordinate geometry to six Ce, four equivalent Pd, and two equivalent Si atoms. Both Pd–Si bond lengths are 2.46 Å. Si is bonded in a 9-coordinate geometry to three Ce and six Pd atoms.
- Publication Date:
- Other Number(s):
- mp-30155
- 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; Ce-Pd-Si; Ce3SiPd5; crystal structure
- OSTI Identifier:
- 1204570
- DOI:
- https://doi.org/10.17188/1204570
Citation Formats
Materials Data on Ce3SiPd5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1204570.
Materials Data on Ce3SiPd5 by Materials Project. United States. doi:https://doi.org/10.17188/1204570
2020.
"Materials Data on Ce3SiPd5 by Materials Project". United States. doi:https://doi.org/10.17188/1204570. https://www.osti.gov/servlets/purl/1204570. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1204570,
title = {Materials Data on Ce3SiPd5 by Materials Project},
abstractNote = {Ce3Pd5Si crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 11-coordinate geometry to ten Pd and one Si atom. There are a spread of Ce–Pd bond distances ranging from 2.97–3.22 Å. The Ce–Si bond length is 3.19 Å. In the second Ce site, Ce is bonded in a 5-coordinate geometry to ten Pd and one Si atom. There are a spread of Ce–Pd bond distances ranging from 2.94–3.43 Å. The Ce–Si bond length is 3.03 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 11-coordinate geometry to six Ce, four Pd, and one Si atom. There are a spread of Pd–Pd bond distances ranging from 2.91–3.05 Å. The Pd–Si bond length is 2.51 Å. In the second Pd site, Pd is bonded in a 2-coordinate geometry to six Ce, four equivalent Pd, and two equivalent Si atoms. Both Pd–Si bond lengths are 2.46 Å. Si is bonded in a 9-coordinate geometry to three Ce and six Pd atoms.},
doi = {10.17188/1204570},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}