U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on YPd3C by Materials Project
Abstract
YPd3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y is bonded to twelve equivalent Pd atoms to form YPd12 cuboctahedra that share corners with twelve equivalent YPd12 cuboctahedra, faces with six equivalent YPd12 cuboctahedra, and faces with eight equivalent CPd6 octahedra. All Y–Pd bond lengths are 3.04 Å. Pd is bonded to four equivalent Y and two equivalent C atoms to form a mixture of distorted corner, edge, and face-sharing PdY4C2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pd–C bond lengths are 2.15 Å. C is bonded to six equivalent Pd atoms to form CPd6 octahedra that share corners with six equivalent CPd6 octahedra and faces with eight equivalent YPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
- Publication Date:
- Other Number(s):
- mp-1018629
- 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; C-Pd-Y; YPd3C; crystal structure
- OSTI Identifier:
- 1350367
- DOI:
- https://doi.org/10.17188/1350367
Citation Formats
Materials Data on YPd3C by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1350367.
Materials Data on YPd3C by Materials Project. United States. doi:https://doi.org/10.17188/1350367
2020.
"Materials Data on YPd3C by Materials Project". United States. doi:https://doi.org/10.17188/1350367. https://www.osti.gov/servlets/purl/1350367. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1350367,
title = {Materials Data on YPd3C by Materials Project},
abstractNote = {YPd3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y is bonded to twelve equivalent Pd atoms to form YPd12 cuboctahedra that share corners with twelve equivalent YPd12 cuboctahedra, faces with six equivalent YPd12 cuboctahedra, and faces with eight equivalent CPd6 octahedra. All Y–Pd bond lengths are 3.04 Å. Pd is bonded to four equivalent Y and two equivalent C atoms to form a mixture of distorted corner, edge, and face-sharing PdY4C2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pd–C bond lengths are 2.15 Å. C is bonded to six equivalent Pd atoms to form CPd6 octahedra that share corners with six equivalent CPd6 octahedra and faces with eight equivalent YPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1350367},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}