U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ZnPPd5 by Materials Project
Abstract
Pd5ZnP crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted square co-planar geometry to eight equivalent Pd and four equivalent Zn atoms. All Pd–Pd bond lengths are 2.83 Å. All Pd–Zn bond lengths are 2.78 Å. In the second Pd site, Pd is bonded in a 4-coordinate geometry to seven Pd, two equivalent Zn, and two equivalent P atoms. There are four shorter (2.78 Å) and one longer (2.85 Å) Pd–Pd bond lengths. Both Pd–Zn bond lengths are 2.83 Å. Both Pd–P bond lengths are 2.43 Å. Zn is bonded to twelve Pd atoms to form a mixture of corner and face-sharing ZnPd12 cuboctahedra. P is bonded in a body-centered cubic geometry to eight equivalent Pd atoms.
- Publication Date:
- Other Number(s):
- mp-1025258
- 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; P-Pd-Zn; ZnPPd5; crystal structure
- OSTI Identifier:
- 1355534
- DOI:
- https://doi.org/10.17188/1355534
Citation Formats
Materials Data on ZnPPd5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1355534.
Materials Data on ZnPPd5 by Materials Project. United States. doi:https://doi.org/10.17188/1355534
2020.
"Materials Data on ZnPPd5 by Materials Project". United States. doi:https://doi.org/10.17188/1355534. https://www.osti.gov/servlets/purl/1355534. Pub date:Tue Jul 14 04:00:00 UTC 2020
@article{osti_1355534,
title = {Materials Data on ZnPPd5 by Materials Project},
abstractNote = {Pd5ZnP crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted square co-planar geometry to eight equivalent Pd and four equivalent Zn atoms. All Pd–Pd bond lengths are 2.83 Å. All Pd–Zn bond lengths are 2.78 Å. In the second Pd site, Pd is bonded in a 4-coordinate geometry to seven Pd, two equivalent Zn, and two equivalent P atoms. There are four shorter (2.78 Å) and one longer (2.85 Å) Pd–Pd bond lengths. Both Pd–Zn bond lengths are 2.83 Å. Both Pd–P bond lengths are 2.43 Å. Zn is bonded to twelve Pd atoms to form a mixture of corner and face-sharing ZnPd12 cuboctahedra. P is bonded in a body-centered cubic geometry to eight equivalent Pd atoms.},
doi = {10.17188/1355534},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}