Materials Data on AlPd5 by Materials Project
Abstract
AlPd5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are five inequivalent Pd sites. In the first Pd site, Pd is bonded in a 3-coordinate geometry to two equivalent Pd and three equivalent Al atoms. There are one shorter (2.74 Å) and one longer (2.77 Å) Pd–Pd bond lengths. There are two shorter (2.58 Å) and one longer (2.75 Å) Pd–Al bond lengths. In the second Pd site, Pd is bonded to ten Pd and two equivalent Al atoms to form a mixture of distorted face, edge, and corner-sharing PdAl2Pd10 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.72–2.86 Å. Both Pd–Al bond lengths are 2.83 Å. In the third Pd site, Pd is bonded in a 3-coordinate geometry to three equivalent Pd and three equivalent Al atoms. There are two shorter (2.58 Å) and one longer (2.70 Å) Pd–Al bond lengths. In the fourth Pd site, Pd is bonded in a distorted single-bond geometry to two equivalent Pd and one Al atom. The Pd–Al bond length is 2.60 Å. In the fifth Pd site, Pd is bonded in a distorted single-bond geometry to three equivalent Pd and one Al atom. The Pd–Almore »
- Authors:
- Publication Date:
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Org.:
- MIT; UC Berkeley; Duke; U Louvain
- OSTI Identifier:
- 1277459
- Report Number(s):
- mp-605663
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Resource Type:
- Data
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; crystal structure; AlPd5; Al-Pd
Citation Formats
The Materials Project. Materials Data on AlPd5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1277459.
The Materials Project. Materials Data on AlPd5 by Materials Project. United States. https://doi.org/10.17188/1277459
The Materials Project. 2020.
"Materials Data on AlPd5 by Materials Project". United States. https://doi.org/10.17188/1277459. https://www.osti.gov/servlets/purl/1277459.
@article{osti_1277459,
title = {Materials Data on AlPd5 by Materials Project},
author = {The Materials Project},
abstractNote = {AlPd5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are five inequivalent Pd sites. In the first Pd site, Pd is bonded in a 3-coordinate geometry to two equivalent Pd and three equivalent Al atoms. There are one shorter (2.74 Å) and one longer (2.77 Å) Pd–Pd bond lengths. There are two shorter (2.58 Å) and one longer (2.75 Å) Pd–Al bond lengths. In the second Pd site, Pd is bonded to ten Pd and two equivalent Al atoms to form a mixture of distorted face, edge, and corner-sharing PdAl2Pd10 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.72–2.86 Å. Both Pd–Al bond lengths are 2.83 Å. In the third Pd site, Pd is bonded in a 3-coordinate geometry to three equivalent Pd and three equivalent Al atoms. There are two shorter (2.58 Å) and one longer (2.70 Å) Pd–Al bond lengths. In the fourth Pd site, Pd is bonded in a distorted single-bond geometry to two equivalent Pd and one Al atom. The Pd–Al bond length is 2.60 Å. In the fifth Pd site, Pd is bonded in a distorted single-bond geometry to three equivalent Pd and one Al atom. The Pd–Al bond length is 2.59 Å. Al is bonded in a 10-coordinate geometry to ten Pd atoms.},
doi = {10.17188/1277459},
url = {https://www.osti.gov/biblio/1277459},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}