U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ag3Pd by Materials Project
Abstract
PdAg3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pd is bonded to twelve Ag atoms to form PdAg12 cuboctahedra that share corners with four equivalent PdAg12 cuboctahedra, corners with eight equivalent AgAg8Pd4 cuboctahedra, edges with eight equivalent PdAg12 cuboctahedra, edges with sixteen equivalent AgAg8Pd4 cuboctahedra, faces with four equivalent PdAg12 cuboctahedra, and faces with fourteen AgAg8Pd4 cuboctahedra. There are eight shorter (2.90 Å) and four longer (2.91 Å) Pd–Ag bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded to four equivalent Pd and eight Ag atoms to form AgAg8Pd4 cuboctahedra that share corners with twelve equivalent AgAg8Pd4 cuboctahedra, edges with eight equivalent PdAg12 cuboctahedra, edges with sixteen AgAg8Pd4 cuboctahedra, faces with four equivalent PdAg12 cuboctahedra, and faces with fourteen AgAg8Pd4 cuboctahedra. There are four shorter (2.90 Å) and four longer (2.91 Å) Ag–Ag bond lengths. In the second Ag site, Ag is bonded to four equivalent Pd and eight equivalent Ag atoms to form AgAg8Pd4 cuboctahedra that share corners with four equivalent AgAg8Pd4 cuboctahedra, corners with eight equivalent PdAg12 cuboctahedra, edges with twenty-four AgAg8Pd4 cuboctahedra, faces with six equivalent PdAg12 cuboctahedra, and faces withmore »
- Publication Date:
- Other Number(s):
- mp-985296
- 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; Ag-Pd; Ag3Pd; crystal structure
- OSTI Identifier:
- 1272822
- DOI:
- https://doi.org/10.17188/1272822
Citation Formats
Materials Data on Ag3Pd by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1272822.
Materials Data on Ag3Pd by Materials Project. United States. doi:https://doi.org/10.17188/1272822
2020.
"Materials Data on Ag3Pd by Materials Project". United States. doi:https://doi.org/10.17188/1272822. https://www.osti.gov/servlets/purl/1272822. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1272822,
title = {Materials Data on Ag3Pd by Materials Project},
abstractNote = {PdAg3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pd is bonded to twelve Ag atoms to form PdAg12 cuboctahedra that share corners with four equivalent PdAg12 cuboctahedra, corners with eight equivalent AgAg8Pd4 cuboctahedra, edges with eight equivalent PdAg12 cuboctahedra, edges with sixteen equivalent AgAg8Pd4 cuboctahedra, faces with four equivalent PdAg12 cuboctahedra, and faces with fourteen AgAg8Pd4 cuboctahedra. There are eight shorter (2.90 Å) and four longer (2.91 Å) Pd–Ag bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded to four equivalent Pd and eight Ag atoms to form AgAg8Pd4 cuboctahedra that share corners with twelve equivalent AgAg8Pd4 cuboctahedra, edges with eight equivalent PdAg12 cuboctahedra, edges with sixteen AgAg8Pd4 cuboctahedra, faces with four equivalent PdAg12 cuboctahedra, and faces with fourteen AgAg8Pd4 cuboctahedra. There are four shorter (2.90 Å) and four longer (2.91 Å) Ag–Ag bond lengths. In the second Ag site, Ag is bonded to four equivalent Pd and eight equivalent Ag atoms to form AgAg8Pd4 cuboctahedra that share corners with four equivalent AgAg8Pd4 cuboctahedra, corners with eight equivalent PdAg12 cuboctahedra, edges with twenty-four AgAg8Pd4 cuboctahedra, faces with six equivalent PdAg12 cuboctahedra, and faces with twelve AgAg8Pd4 cuboctahedra.},
doi = {10.17188/1272822},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}