U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na8PtO6 by Materials Project
Abstract
Na8PtO6 crystallizes in the tetragonal P4 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.24–2.54 Å. In the second Na1+ site, Na1+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.26–2.87 Å. Pt4+ is bonded to six O2- atoms to form corner-sharing PtO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Pt–O bond distances ranging from 2.07–2.26 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 8-coordinate geometry to eight Na1+ atoms. In the second O2- site, O2- is bonded to four equivalent Na1+ and two equivalent Pt4+ atoms to form ONa4Pt2 octahedra that share corners with two equivalent ONa4Pt2 octahedra and edges with eight equivalent ONa5Pt octahedra. The corner-sharing octahedral tilt angles are 0°. In the third O2- site, O2- is bonded to five Na1+ and one Pt4+ atom to form ONa5Pt octahedra that share corners with five equivalent ONa5Pt octahedra andmore »
- Publication Date:
- Other Number(s):
- mp-1220904
- 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; Na-O-Pt; Na8PtO6; crystal structure
- OSTI Identifier:
- 1700812
- DOI:
- https://doi.org/10.17188/1700812
Citation Formats
Materials Data on Na8PtO6 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1700812.
Materials Data on Na8PtO6 by Materials Project. United States. doi:https://doi.org/10.17188/1700812
2019.
"Materials Data on Na8PtO6 by Materials Project". United States. doi:https://doi.org/10.17188/1700812. https://www.osti.gov/servlets/purl/1700812. Pub date:Fri Jan 11 23:00:00 EST 2019
@article{osti_1700812,
title = {Materials Data on Na8PtO6 by Materials Project},
abstractNote = {Na8PtO6 crystallizes in the tetragonal P4 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.24–2.54 Å. In the second Na1+ site, Na1+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.26–2.87 Å. Pt4+ is bonded to six O2- atoms to form corner-sharing PtO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Pt–O bond distances ranging from 2.07–2.26 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 8-coordinate geometry to eight Na1+ atoms. In the second O2- site, O2- is bonded to four equivalent Na1+ and two equivalent Pt4+ atoms to form ONa4Pt2 octahedra that share corners with two equivalent ONa4Pt2 octahedra and edges with eight equivalent ONa5Pt octahedra. The corner-sharing octahedral tilt angles are 0°. In the third O2- site, O2- is bonded to five Na1+ and one Pt4+ atom to form ONa5Pt octahedra that share corners with five equivalent ONa5Pt octahedra and edges with five ONa4Pt2 octahedra. The corner-sharing octahedra tilt angles range from 0–24°.},
doi = {10.17188/1700812},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}