U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ScBPt3 by Materials Project
Abstract
ScPt3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc3+ is bonded to twelve equivalent Pt2- atoms to form ScPt12 cuboctahedra that share corners with twelve equivalent ScPt12 cuboctahedra, faces with six equivalent ScPt12 cuboctahedra, and faces with eight equivalent BPt6 octahedra. All Sc–Pt bond lengths are 3.01 Å. Pt2- is bonded to four equivalent Sc3+ and two equivalent B3+ atoms to form a mixture of distorted face, edge, and corner-sharing PtSc4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pt–B bond lengths are 2.13 Å. B3+ is bonded to six equivalent Pt2- atoms to form BPt6 octahedra that share corners with six equivalent BPt6 octahedra and faces with eight equivalent ScPt12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
- Publication Date:
- Other Number(s):
- mp-1018627
- 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-Pt-Sc; ScBPt3; crystal structure
- OSTI Identifier:
- 1350265
- DOI:
- https://doi.org/10.17188/1350265
Citation Formats
Materials Data on ScBPt3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1350265.
Materials Data on ScBPt3 by Materials Project. United States. doi:https://doi.org/10.17188/1350265
2020.
"Materials Data on ScBPt3 by Materials Project". United States. doi:https://doi.org/10.17188/1350265. https://www.osti.gov/servlets/purl/1350265. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1350265,
title = {Materials Data on ScBPt3 by Materials Project},
abstractNote = {ScPt3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc3+ is bonded to twelve equivalent Pt2- atoms to form ScPt12 cuboctahedra that share corners with twelve equivalent ScPt12 cuboctahedra, faces with six equivalent ScPt12 cuboctahedra, and faces with eight equivalent BPt6 octahedra. All Sc–Pt bond lengths are 3.01 Å. Pt2- is bonded to four equivalent Sc3+ and two equivalent B3+ atoms to form a mixture of distorted face, edge, and corner-sharing PtSc4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pt–B bond lengths are 2.13 Å. B3+ is bonded to six equivalent Pt2- atoms to form BPt6 octahedra that share corners with six equivalent BPt6 octahedra and faces with eight equivalent ScPt12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1350265},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}