U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ScBPd3 by Materials Project
Abstract
ScPd3B 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 BPd6 octahedra. All Sc–Pd bond lengths are 2.99 Å. Pd is bonded to four equivalent Sc and two equivalent B atoms to form a mixture of distorted edge, face, and corner-sharing PdSc4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pd–B bond lengths are 2.12 Å. B is bonded to six equivalent Pd atoms to form BPd6 octahedra that share corners with six equivalent BPd6 octahedra and faces with eight equivalent ScPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
- Publication Date:
- Other Number(s):
- mp-1017631
- 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; B-Pd-Sc; ScBPd3; crystal structure
- OSTI Identifier:
- 1349863
- DOI:
- https://doi.org/10.17188/1349863
Citation Formats
Materials Data on ScBPd3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1349863.
Materials Data on ScBPd3 by Materials Project. United States. doi:https://doi.org/10.17188/1349863
2020.
"Materials Data on ScBPd3 by Materials Project". United States. doi:https://doi.org/10.17188/1349863. https://www.osti.gov/servlets/purl/1349863. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1349863,
title = {Materials Data on ScBPd3 by Materials Project},
abstractNote = {ScPd3B 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 BPd6 octahedra. All Sc–Pd bond lengths are 2.99 Å. Pd is bonded to four equivalent Sc and two equivalent B atoms to form a mixture of distorted edge, face, and corner-sharing PdSc4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pd–B bond lengths are 2.12 Å. B is bonded to six equivalent Pd atoms to form BPd6 octahedra that share corners with six equivalent BPd6 octahedra and faces with eight equivalent ScPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1349863},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}