U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on AsPd3 by Materials Project
Abstract
Pd3As crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to twelve Pd and two equivalent As atoms. There are a spread of Pd–Pd bond distances ranging from 2.75–3.26 Å. There are one shorter (2.49 Å) and one longer (2.54 Å) Pd–As bond lengths. In the second Pd site, Pd is bonded in a 4-coordinate geometry to five Pd and four equivalent As atoms. There are a spread of Pd–Pd bond distances ranging from 2.85–2.95 Å. There are a spread of Pd–As bond distances ranging from 2.58–2.68 Å. In the third Pd site, Pd is bonded in a 2-coordinate geometry to ten Pd and three equivalent As atoms. Both Pd–Pd bond lengths are 2.97 Å. There are a spread of Pd–As bond distances ranging from 2.49–2.70 Å. As is bonded in a 9-coordinate geometry to nine Pd atoms.
- Publication Date:
- Other Number(s):
- mp-1105134
- 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; As-Pd; AsPd3; crystal structure
- OSTI Identifier:
- 1664246
- DOI:
- https://doi.org/10.17188/1664246
Citation Formats
Materials Data on AsPd3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1664246.
Materials Data on AsPd3 by Materials Project. United States. doi:https://doi.org/10.17188/1664246
2020.
"Materials Data on AsPd3 by Materials Project". United States. doi:https://doi.org/10.17188/1664246. https://www.osti.gov/servlets/purl/1664246. Pub date:Tue Jul 14 04:00:00 UTC 2020
@article{osti_1664246,
title = {Materials Data on AsPd3 by Materials Project},
abstractNote = {Pd3As crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to twelve Pd and two equivalent As atoms. There are a spread of Pd–Pd bond distances ranging from 2.75–3.26 Å. There are one shorter (2.49 Å) and one longer (2.54 Å) Pd–As bond lengths. In the second Pd site, Pd is bonded in a 4-coordinate geometry to five Pd and four equivalent As atoms. There are a spread of Pd–Pd bond distances ranging from 2.85–2.95 Å. There are a spread of Pd–As bond distances ranging from 2.58–2.68 Å. In the third Pd site, Pd is bonded in a 2-coordinate geometry to ten Pd and three equivalent As atoms. Both Pd–Pd bond lengths are 2.97 Å. There are a spread of Pd–As bond distances ranging from 2.49–2.70 Å. As is bonded in a 9-coordinate geometry to nine Pd atoms.},
doi = {10.17188/1664246},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}