U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on PtO3 by Materials Project
Abstract
PtO3 is Upper Bainite-like structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Pt6+ sites. In the first Pt6+ site, Pt6+ is bonded to six O2- atoms to form corner-sharing PtO6 octahedra. The corner-sharing octahedra tilt angles range from 49–54°. All Pt–O bond lengths are 1.98 Å. In the second Pt6+ site, Pt6+ is bonded to six O2- atoms to form corner-sharing PtO6 octahedra. The corner-sharing octahedra tilt angles range from 49–54°. All Pt–O bond lengths are 1.98 Å. In the third Pt6+ site, Pt6+ is bonded to six O2- atoms to form corner-sharing PtO6 octahedra. The corner-sharing octahedra tilt angles range from 49–54°. There is two shorter (1.97 Å) and four longer (1.98 Å) Pt–O bond length. In the fourth Pt6+ site, Pt6+ is bonded to six O2- atoms to form corner-sharing PtO6 octahedra. The corner-sharing octahedra tilt angles range from 49–54°. There is two shorter (1.97 Å) and four longer (1.98 Å) Pt–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two Pt6+ atoms. In the second O2- site, O2- is bonded in a bentmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-768242
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; PtO3; O-Pt
- OSTI Identifier:
- 1298307
- DOI:
- https://doi.org/10.17188/1298307
Citation Formats
The Materials Project. Materials Data on PtO3 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1298307.
The Materials Project. Materials Data on PtO3 by Materials Project. United States. doi:https://doi.org/10.17188/1298307
The Materials Project. 2017.
"Materials Data on PtO3 by Materials Project". United States. doi:https://doi.org/10.17188/1298307. https://www.osti.gov/servlets/purl/1298307. Pub date:Mon Jul 24 00:00:00 EDT 2017
@article{osti_1298307,
title = {Materials Data on PtO3 by Materials Project},
author = {The Materials Project},
abstractNote = {PtO3 is Upper Bainite-like structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Pt6+ sites. In the first Pt6+ site, Pt6+ is bonded to six O2- atoms to form corner-sharing PtO6 octahedra. The corner-sharing octahedra tilt angles range from 49–54°. All Pt–O bond lengths are 1.98 Å. In the second Pt6+ site, Pt6+ is bonded to six O2- atoms to form corner-sharing PtO6 octahedra. The corner-sharing octahedra tilt angles range from 49–54°. All Pt–O bond lengths are 1.98 Å. In the third Pt6+ site, Pt6+ is bonded to six O2- atoms to form corner-sharing PtO6 octahedra. The corner-sharing octahedra tilt angles range from 49–54°. There is two shorter (1.97 Å) and four longer (1.98 Å) Pt–O bond length. In the fourth Pt6+ site, Pt6+ is bonded to six O2- atoms to form corner-sharing PtO6 octahedra. The corner-sharing octahedra tilt angles range from 49–54°. There is two shorter (1.97 Å) and four longer (1.98 Å) Pt–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two Pt6+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two Pt6+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Pt6+ atoms. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two Pt6+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Pt6+ atoms. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two Pt6+ atoms.},
doi = {10.17188/1298307},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Jul 24 00:00:00 EDT 2017},
month = {Mon Jul 24 00:00:00 EDT 2017}
}