U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CdAsPd5 by Materials Project
Abstract
Pd5CdAs 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 to eight equivalent Pd and four equivalent Cd atoms to form distorted PdCd4Pd8 cuboctahedra that share corners with four equivalent PdCd4Pd8 cuboctahedra, faces with four equivalent PdCd4Pd8 cuboctahedra, and faces with four equivalent CdPd12 cuboctahedra. All Pd–Pd bond lengths are 2.90 Å. All Pd–Cd bond lengths are 2.85 Å. In the second Pd site, Pd is bonded in a 4-coordinate geometry to two equivalent Pd, two equivalent Cd, and two equivalent As atoms. Both Pd–Cd bond lengths are 2.90 Å. Both Pd–As bond lengths are 2.51 Å. Cd is bonded to twelve Pd atoms to form CdPd12 cuboctahedra that share corners with four equivalent CdPd12 cuboctahedra, faces with four equivalent PdCd4Pd8 cuboctahedra, and faces with four equivalent CdPd12 cuboctahedra. As is bonded in a body-centered cubic geometry to eight equivalent Pd atoms.
- Publication Date:
- Other Number(s):
- mp-1025294
- 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-Cd-Pd; CdAsPd5; crystal structure
- OSTI Identifier:
- 1355211
- DOI:
- https://doi.org/10.17188/1355211
Citation Formats
Materials Data on CdAsPd5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1355211.
Materials Data on CdAsPd5 by Materials Project. United States. doi:https://doi.org/10.17188/1355211
2020.
"Materials Data on CdAsPd5 by Materials Project". United States. doi:https://doi.org/10.17188/1355211. https://www.osti.gov/servlets/purl/1355211. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1355211,
title = {Materials Data on CdAsPd5 by Materials Project},
abstractNote = {Pd5CdAs 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 to eight equivalent Pd and four equivalent Cd atoms to form distorted PdCd4Pd8 cuboctahedra that share corners with four equivalent PdCd4Pd8 cuboctahedra, faces with four equivalent PdCd4Pd8 cuboctahedra, and faces with four equivalent CdPd12 cuboctahedra. All Pd–Pd bond lengths are 2.90 Å. All Pd–Cd bond lengths are 2.85 Å. In the second Pd site, Pd is bonded in a 4-coordinate geometry to two equivalent Pd, two equivalent Cd, and two equivalent As atoms. Both Pd–Cd bond lengths are 2.90 Å. Both Pd–As bond lengths are 2.51 Å. Cd is bonded to twelve Pd atoms to form CdPd12 cuboctahedra that share corners with four equivalent CdPd12 cuboctahedra, faces with four equivalent PdCd4Pd8 cuboctahedra, and faces with four equivalent CdPd12 cuboctahedra. As is bonded in a body-centered cubic geometry to eight equivalent Pd atoms.},
doi = {10.17188/1355211},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}