U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KPtO3 by Materials Project
Abstract
KPtO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent O2- atoms to form KO12 cuboctahedra that share corners with twelve equivalent KO12 cuboctahedra, faces with six equivalent KO12 cuboctahedra, and faces with eight equivalent PtO6 octahedra. All K–O bond lengths are 2.86 Å. Pt5+ is bonded to six equivalent O2- atoms to form PtO6 octahedra that share corners with six equivalent PtO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pt–O bond lengths are 2.02 Å. O2- is bonded to four equivalent K1+ and two equivalent Pt5+ atoms to form a mixture of distorted edge, face, and corner-sharing OK4Pt2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.
- Publication Date:
- Other Number(s):
- mp-974842
- 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; K-O-Pt; KPtO3; crystal structure
- OSTI Identifier:
- 1314656
- DOI:
- https://doi.org/10.17188/1314656
Citation Formats
Materials Data on KPtO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1314656.
Materials Data on KPtO3 by Materials Project. United States. doi:https://doi.org/10.17188/1314656
2020.
"Materials Data on KPtO3 by Materials Project". United States. doi:https://doi.org/10.17188/1314656. https://www.osti.gov/servlets/purl/1314656. Pub date:Thu Jul 23 04:00:00 UTC 2020
@article{osti_1314656,
title = {Materials Data on KPtO3 by Materials Project},
abstractNote = {KPtO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent O2- atoms to form KO12 cuboctahedra that share corners with twelve equivalent KO12 cuboctahedra, faces with six equivalent KO12 cuboctahedra, and faces with eight equivalent PtO6 octahedra. All K–O bond lengths are 2.86 Å. Pt5+ is bonded to six equivalent O2- atoms to form PtO6 octahedra that share corners with six equivalent PtO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pt–O bond lengths are 2.02 Å. O2- is bonded to four equivalent K1+ and two equivalent Pt5+ atoms to form a mixture of distorted edge, face, and corner-sharing OK4Pt2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.},
doi = {10.17188/1314656},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}