U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on P3Pd by Materials Project
Abstract
PdP3 is Skutterudite structured and crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Pd2+ is bonded to six equivalent P+0.67- atoms to form PdP6 octahedra that share corners with six equivalent PdP6 octahedra and corners with twelve equivalent PP2Pd2 tetrahedra. The corner-sharing octahedral tilt angles are 66°. All Pd–P bond lengths are 2.45 Å. P+0.67- is bonded to two equivalent Pd2+ and two equivalent P+0.67- atoms to form PP2Pd2 tetrahedra that share corners with four equivalent PdP6 octahedra, corners with ten equivalent PP2Pd2 tetrahedra, and an edgeedge with one PP2Pd2 tetrahedra. The corner-sharing octahedral tilt angles are 67°. There are one shorter (2.22 Å) and one longer (2.23 Å) P–P bond lengths.
- Publication Date:
- Other Number(s):
- mp-1021498
- 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; P-Pd; P3Pd; crystal structure
- OSTI Identifier:
- 1351513
- DOI:
- https://doi.org/10.17188/1351513
Citation Formats
Materials Data on P3Pd by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1351513.
Materials Data on P3Pd by Materials Project. United States. doi:https://doi.org/10.17188/1351513
2020.
"Materials Data on P3Pd by Materials Project". United States. doi:https://doi.org/10.17188/1351513. https://www.osti.gov/servlets/purl/1351513. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1351513,
title = {Materials Data on P3Pd by Materials Project},
abstractNote = {PdP3 is Skutterudite structured and crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Pd2+ is bonded to six equivalent P+0.67- atoms to form PdP6 octahedra that share corners with six equivalent PdP6 octahedra and corners with twelve equivalent PP2Pd2 tetrahedra. The corner-sharing octahedral tilt angles are 66°. All Pd–P bond lengths are 2.45 Å. P+0.67- is bonded to two equivalent Pd2+ and two equivalent P+0.67- atoms to form PP2Pd2 tetrahedra that share corners with four equivalent PdP6 octahedra, corners with ten equivalent PP2Pd2 tetrahedra, and an edgeedge with one PP2Pd2 tetrahedra. The corner-sharing octahedral tilt angles are 67°. There are one shorter (2.22 Å) and one longer (2.23 Å) P–P bond lengths.},
doi = {10.17188/1351513},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}