U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cd3Pd by Materials Project
Abstract
PdCd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pd is bonded to twelve equivalent Cd atoms to form PdCd12 cuboctahedra that share corners with six equivalent PdCd12 cuboctahedra, corners with twelve equivalent CdCd8Pd4 cuboctahedra, edges with eighteen equivalent CdCd8Pd4 cuboctahedra, faces with eight equivalent PdCd12 cuboctahedra, and faces with twelve equivalent CdCd8Pd4 cuboctahedra. There are six shorter (3.00 Å) and six longer (3.01 Å) Pd–Cd bond lengths. Cd is bonded to four equivalent Pd and eight equivalent Cd atoms to form distorted CdCd8Pd4 cuboctahedra that share corners with four equivalent PdCd12 cuboctahedra, corners with fourteen equivalent CdCd8Pd4 cuboctahedra, edges with six equivalent PdCd12 cuboctahedra, edges with twelve equivalent CdCd8Pd4 cuboctahedra, faces with four equivalent PdCd12 cuboctahedra, and faces with sixteen equivalent CdCd8Pd4 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 2.93–3.08 Å.
- Publication Date:
- Other Number(s):
- mp-1183648
- 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; Cd-Pd; Cd3Pd; crystal structure
- OSTI Identifier:
- 1685489
- DOI:
- https://doi.org/10.17188/1685489
Citation Formats
Materials Data on Cd3Pd by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1685489.
Materials Data on Cd3Pd by Materials Project. United States. doi:https://doi.org/10.17188/1685489
2020.
"Materials Data on Cd3Pd by Materials Project". United States. doi:https://doi.org/10.17188/1685489. https://www.osti.gov/servlets/purl/1685489. Pub date:Fri May 01 20:00:00 EDT 2020
@article{osti_1685489,
title = {Materials Data on Cd3Pd by Materials Project},
abstractNote = {PdCd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pd is bonded to twelve equivalent Cd atoms to form PdCd12 cuboctahedra that share corners with six equivalent PdCd12 cuboctahedra, corners with twelve equivalent CdCd8Pd4 cuboctahedra, edges with eighteen equivalent CdCd8Pd4 cuboctahedra, faces with eight equivalent PdCd12 cuboctahedra, and faces with twelve equivalent CdCd8Pd4 cuboctahedra. There are six shorter (3.00 Å) and six longer (3.01 Å) Pd–Cd bond lengths. Cd is bonded to four equivalent Pd and eight equivalent Cd atoms to form distorted CdCd8Pd4 cuboctahedra that share corners with four equivalent PdCd12 cuboctahedra, corners with fourteen equivalent CdCd8Pd4 cuboctahedra, edges with six equivalent PdCd12 cuboctahedra, edges with twelve equivalent CdCd8Pd4 cuboctahedra, faces with four equivalent PdCd12 cuboctahedra, and faces with sixteen equivalent CdCd8Pd4 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 2.93–3.08 Å.},
doi = {10.17188/1685489},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}