U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ScPd3C by Materials Project
Abstract
ScPd3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded to twelve equivalent Pd atoms to form ScPd12 cuboctahedra that share corners with twelve equivalent ScPd12 cuboctahedra, faces with six equivalent ScPd12 cuboctahedra, and faces with eight equivalent CPd6 octahedra. All Sc–Pd bond lengths are 2.98 Å. Pd is bonded in a distorted linear geometry to four equivalent Sc and two equivalent C atoms. Both Pd–C bond lengths are 2.11 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 ScPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
- Publication Date:
- Other Number(s):
- mp-1018635
- 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-Sc; ScPd3C; crystal structure
- OSTI Identifier:
- 1350280
- DOI:
- https://doi.org/10.17188/1350280
Citation Formats
Materials Data on ScPd3C by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1350280.
Materials Data on ScPd3C by Materials Project. United States. doi:https://doi.org/10.17188/1350280
2020.
"Materials Data on ScPd3C by Materials Project". United States. doi:https://doi.org/10.17188/1350280. https://www.osti.gov/servlets/purl/1350280. Pub date:Thu Jul 23 04:00:00 UTC 2020
@article{osti_1350280,
title = {Materials Data on ScPd3C by Materials Project},
abstractNote = {ScPd3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded to twelve equivalent Pd atoms to form ScPd12 cuboctahedra that share corners with twelve equivalent ScPd12 cuboctahedra, faces with six equivalent ScPd12 cuboctahedra, and faces with eight equivalent CPd6 octahedra. All Sc–Pd bond lengths are 2.98 Å. Pd is bonded in a distorted linear geometry to four equivalent Sc and two equivalent C atoms. Both Pd–C bond lengths are 2.11 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 ScPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1350280},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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