U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ZrPd3 by Materials Project
Abstract
Pd3Zr is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded to twelve Pd atoms to form a mixture of corner and face-sharing ZrPd12 cuboctahedra. There are six shorter (2.86 Å) and six longer (2.88 Å) Zr–Pd bond lengths. In the second Zr site, Zr is bonded to twelve Pd atoms to form a mixture of corner and face-sharing ZrPd12 cuboctahedra. All Zr–Pd bond lengths are 2.86 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted see-saw-like geometry to four Zr atoms. In the second Pd site, Pd is bonded in a distorted square co-planar geometry to four Zr atoms.
- Publication Date:
- Other Number(s):
- mp-30842
- 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; Pd-Zr; ZrPd3; crystal structure
- OSTI Identifier:
- 1205199
- DOI:
- https://doi.org/10.17188/1205199
Citation Formats
Materials Data on ZrPd3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1205199.
Materials Data on ZrPd3 by Materials Project. United States. doi:https://doi.org/10.17188/1205199
2020.
"Materials Data on ZrPd3 by Materials Project". United States. doi:https://doi.org/10.17188/1205199. https://www.osti.gov/servlets/purl/1205199. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1205199,
title = {Materials Data on ZrPd3 by Materials Project},
abstractNote = {Pd3Zr is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded to twelve Pd atoms to form a mixture of corner and face-sharing ZrPd12 cuboctahedra. There are six shorter (2.86 Å) and six longer (2.88 Å) Zr–Pd bond lengths. In the second Zr site, Zr is bonded to twelve Pd atoms to form a mixture of corner and face-sharing ZrPd12 cuboctahedra. All Zr–Pd bond lengths are 2.86 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted see-saw-like geometry to four Zr atoms. In the second Pd site, Pd is bonded in a distorted square co-planar geometry to four Zr atoms.},
doi = {10.17188/1205199},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}